Molecule Info: water
Smiles:
O
InChIKey:
XLYOFNOQVPJJNP-UHFFFAOYSA-N
InChI:
1S/H2O/h1H2
InChIcol:
1
More information (from its Standard Form):
water
Complex structures in which this molecule appears :
Complex Structure ID: 275 Complex Structure ID: 276 Complex Structure ID: 282 Complex Structure ID: 283 Complex Structure ID: 285 Complex Structure ID: 286 Complex Structure ID: 289 Complex Structure ID: 290 Complex Structure ID: 293 Complex Structure ID: 294 Complex Structure ID: 295 Complex Structure ID: 304 Complex Structure ID: 305 Complex Structure ID: 306 Complex Structure ID: 307 Complex Structure ID: 308 Complex Structure ID: 309 Complex Structure ID: 310 Complex Structure ID: 311 Complex Structure ID: 312 Complex Structure ID: 313 Complex Structure ID: 314 Complex Structure ID: 316 Complex Structure ID: 317 Complex Structure ID: 318 Complex Structure ID: 321 Complex Structure ID: 325 Complex Structure ID: 331 Complex Structure ID: 332 Complex Structure ID: 333 Complex Structure ID: 334 Complex Structure ID: 343 Complex Structure ID: 345 Complex Structure ID: 346 Complex Structure ID: 347 Complex Structure ID: 350 Complex Structure ID: 353 Complex Structure ID: 354 Complex Structure ID: 358 Complex Structure ID: 360 Complex Structure ID: 361 Complex Structure ID: 366 Complex Structure ID: 367 Complex Structure ID: 368 Complex Structure ID: 369 Complex Structure ID: 375 Complex Structure ID: 376 Complex Structure ID: 377 Complex Structure ID: 378 Complex Structure ID: 379 Complex Structure ID: 382 Complex Structure ID: 386 Complex Structure ID: 390 Complex Structure ID: 391 Complex Structure ID: 392 Complex Structure ID: 393 Complex Structure ID: 402 Complex Structure ID: 403 Complex Structure ID: 404 Complex Structure ID: 405 Complex Structure ID: 407 Complex Structure ID: 408 Complex Structure ID: 412 Complex Structure ID: 419 Complex Structure ID: 421 Complex Structure ID: 423 Complex Structure ID: 424 Complex Structure ID: 425 Complex Structure ID: 431 Complex Structure ID: 432 Complex Structure ID: 436 Complex Structure ID: 437 Complex Structure ID: 438 Complex Structure ID: 439 Complex Structure ID: 440 Complex Structure ID: 441 Complex Structure 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Complex Structure ID: 1014 Complex Structure ID: 1018 Complex Structure ID: 1019 Complex Structure ID: 1020 Complex Structure ID: 1024 Complex Structure ID: 1025 Complex Structure ID: 895 Complex Structure ID: 1033 Complex Structure ID: 1045 Complex Structure ID: 708 Complex Structure ID: 718 Complex Structure ID: 740 Complex Structure ID: 748 Complex Structure ID: 779 Complex Structure ID: 787 Complex Structure ID: 805 Complex Structure ID: 858 Complex Structure ID: 862 Complex Structure ID: 879 Complex Structure ID: 910 Complex Structure ID: 918 Complex Structure ID: 922 Complex Structure ID: 934 Complex Structure ID: 1026 Complex Structure ID: 1027 Complex Structure ID: 1034 Complex Structure ID: 1043 Complex Structure ID: 1044 Complex Structure ID: 1046 Complex Structure ID: 1047 Complex Structure ID: 1048 Complex Structure ID: 1059 Complex Structure ID: 756 Complex Structure ID: 770 Complex Structure ID: 823 Complex Structure ID: 912 Complex Structure ID: 942 Complex Structure ID: 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Complex Structure ID: 722 Complex Structure ID: 726 Complex Structure ID: 729 Complex Structure ID: 730 Complex Structure ID: 731 Complex Structure ID: 732 Complex Structure ID: 734 Complex Structure ID: 736 Complex Structure ID: 737 Complex Structure ID: 738 Complex Structure ID: 739 Complex Structure ID: 741 Complex Structure ID: 742 Complex Structure ID: 743 Complex Structure ID: 744 Complex Structure ID: 746 Complex Structure ID: 747 Complex Structure ID: 749 Complex Structure ID: 750 Complex Structure ID: 751 Complex Structure ID: 752 Complex Structure ID: 753 Complex Structure ID: 757 Complex Structure ID: 758 Complex Structure ID: 761 Complex Structure ID: 762 Complex Structure ID: 764 Complex Structure ID: 765 Complex Structure ID: 771 Complex Structure ID: 772 Complex Structure ID: 773 Complex Structure ID: 774 Complex Structure ID: 776 Complex Structure ID: 777 Complex Structure ID: 778 Complex Structure ID: 781 Complex Structure ID: 782 Complex Structure ID: 784 Complex 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Complex Structure ID: 906 Complex Structure ID: 911 Complex Structure ID: 915 Complex Structure ID: 916 Complex Structure ID: 917 Complex Structure ID: 921 Complex Structure ID: 923 Complex Structure ID: 924 Complex Structure ID: 926 Complex Structure ID: 927 Complex Structure ID: 928 Complex Structure ID: 930 Complex Structure ID: 931 Complex Structure ID: 932 Complex Structure ID: 933 Complex Structure ID: 939 Complex Structure ID: 940 Complex Structure ID: 941 Complex Structure ID: 945 Complex Structure ID: 946 Complex Structure ID: 948 Complex Structure ID: 949 Complex Structure ID: 950 Complex Structure ID: 951 Complex Structure ID: 953 Complex Structure ID: 954 Complex Structure ID: 957 Complex Structure ID: 959 Complex Structure ID: 960 Complex Structure ID: 964 Complex Structure ID: 965 Complex Structure ID: 970 Complex Structure ID: 972 Complex Structure ID: 973 Complex Structure ID: 974 Complex Structure ID: 975 Complex Structure ID: 976 Complex Structure ID: 977 Complex 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1854 Complex Structure ID: 1800 Complex Structure ID: 1994 Complex Structure ID: 2028 Complex Structure ID: 2034 Complex Structure ID: 2035 Complex Structure ID: 2036 Complex Structure ID: 2037 Complex Structure ID: 2067 Complex Structure ID: 2038 Complex Structure ID: 2040 Complex Structure ID: 2043 Complex Structure ID: 1746 Complex Structure ID: 1747 Complex Structure ID: 1748 Complex Structure ID: 1749 Complex Structure ID: 2079 Complex Structure ID: 2081 Complex Structure ID: 2080 Complex Structure ID: 2083 Complex Structure ID: 2071 Complex Structure ID: 2073 Complex Structure ID: 2074 Complex Structure ID: 2075 Complex Structure ID: 2076 Complex Structure ID: 2077 Complex Structure ID: 2078 Complex Structure ID: 2085
References in which this molecule is mentioned:
Grimes, Jak and Koszegi, Zsombor and Lanoiselee, Yann and Miljus, Tamara and O'Brien, Shannon L. and Stepniewski, Tomasz M. and Medel-Lacruz, Brian and Baidya, Mithu and Makarova, Maria and Mistry, Ravi and Goulding, Joelle and Drube, Julia and Hoffmann, Carsten and Owen, Dylan M. and Shukla, Arun K. and Selent, Jana and Hill, Stephen J. and Calebiro, Davide. 2023. Plasma membrane preassociation drives β-arrestin coupling to receptors and activation. Cell 186 (10). doi: 10.1016/j.cell.2023.04.018.
Manbir Sandhu, Aaron Cho, Ning Ma, Elizaveta Mukhaleva, Yoon Namkung, Sangbae Lee, Soumadwip Ghosh, John H. Lee, David E. Gloriam, Stéphane A. Laporte, M. Madan Babu, Nagarajan Vaidehi. 2022. Dynamic spatiotemporal determinants modulate GPCR:G protein coupling selectivity and promiscuity. Nature Communications (). doi: 10.1038/s41467-022-34055-5.
. None. . (). doi: Graetz-et-al.
Billesbølle, C.B., de March, C.A., van der Velden, W.J.C. et al.. 2023. Structural basis of odorant recognition by a human odorant receptor. Nature 615 (). doi: 10.1038/s41586-023-05798-y.
Tomasz Maciej Stepniewski, Jeong Seok Jia, Yaejin Yuna, Hye-Jin Yoona, Kyungjin Mina, Ramanuj Banerjeec, Arun K. Shuklac, Jana Selent, Hyung Ho Lee. 2023. Structure of an activation intermediate of β-arrestin reveals the arginine switch mechanism. (). doi: ..
Lukas Grätz, Maria Kowalski-Jahn, Magdalena M. Scharf, Pawel Kozielewicz, Michael Jahn, Julien Bous, Nevin A. Lambert, David E. Gloriam, Gunnar Schulte. 2023. Pathway selectivity in Frizzleds is achieved by conserved micro-switches defining pathway-determining, active conformations. Nature Communications 14 (). doi: https://doi.org/10.1038/s41467-023-40213-0.
Patricia Miranda-Azpiazu Carolina Muguruza Tomasz Maciej Stepniewski Itziar Muneta-Arrate Luis Felipe Callado Javier Gonzalez-Maeso Jana Selent Rebeca Diez-Alarcia J. Javier Meana. 2023. Distinctive patterns of G protein coupling induced by the structurally similar 5-HT2A receptor ligands ketanserin and altanserin in human frontal cortex. None None (None). doi: ketanserine.
Tamaki Izume, Ryo Kawahara, Akiharu Uwamizu, Luying Chen, Shun Yaginuma, Jumpei Omi, Hiroki Kawana, Fengjue Hou, Fumiya K. Sano, Tatsuki Tanaka, Kazuhiro Kobayashi, Hiroyuki H. Okamoto, Yoshiaki Kise, Tomohiko Ohwada, Junken Aoki, Wataru Shihoya, Osamu Nureki. 2024. Structural basis for lysophosphatidylserine recognition by GPR34. Nature Communications 15 (None). doi: doi.org/10.1038/s41467-024-45046-z.
None. None. None. None None (None). doi: Provo.
Lorenza Pirona, Federico Ballabio, Mercedes Alfonso-Prieto, Riccardo Capelli. 2024. Calcium-Driven In Silico Inactivation of a Human Olfactory Receptor. Journal of Chemical Information and Modeling None (None). doi: 10.1021/acs.jcim.4c00249.
None. None. None. None None (None). doi: psybias.
Papadopoulos, M. Giovanna E. and Perhal, Alexander F. and Medel-Lacruz, Brian and Ladurner, Angela and Selent, Jana and Dirsch, Verena M. and Kolb, Peter. 2024. Discovery and characterization of small-molecule TGR5 ligands with agonistic activity. European Journal of Medicinal Chemistry None (None). doi: 10.1016/j.ejmech.2024.116616.
Alessandro Berghella, Tomasz M. Stepniewski, Annalaura Sabatucci Marta Lopez Ballastegui, Krzysztof Nowicki. Beatrice Dufrusine, Jana Selent, Enrico Dainese. None. Type-1 Cannabinoid receptor promiscuous coupling: computational insights into receptor-G protein interaction dynamics. None None (None). doi: Berghella.
Image of the Specific State
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