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BioLiP

PDB CCD ID: 4KV
Number of entries in BioLiP: 2
Chemical formula: C13 H18 Cl O3 Pt S3
InChI: InChI=1S/C11H12O2S2.C2H7OS.ClH.Pt/c1-2-15-11(14)7-10(13)8-4-3-5-9(12)6-8;1-4(2)3;;/h3-7,12-13H,2H2,1H3;3H,1-2H3;1H;/q;+1;;+1/p-2/b10-7-;;;
InChIKey: WTWNXRGJOPEVSJ-SULXSYCDSA-L
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2CCSC1=[S][Pt](OC(=C1)c2cccc(c2)O)(S(C)(C)O)Cl
CACTVS 3.385CCSC(=S)C=C(O[Pt](Cl)[S](C)(C)O)c1cccc(O)c1
Name:3-[2-chloranyl-2-[dimethyl(oxidanyl)-{4}-sulfanyl]-4-ethylsulfanyl-1-oxa-3{3}-thia-2{4}-platinacyclohexa-3,5-dien-6-yl]phenol
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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