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BioLiP

PDB CCD ID: IGP
Number of entries in BioLiP: 7
Chemical formula: C11 H14 N O6 P
InChI: InChI=1S/C11H14NO6P/c13-10(6-18-19(15,16)17)11(14)8-5-12-9-4-2-1-3-7(8)9/h1-5,10-14H,6H2,(H2,15,16,17)/t10-,11+/m1/s1
InChIKey: NQEQTYPJSIEPHW-MNOVXSKESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)C(C(COP(=O)(O)O)O)O
CACTVS 3.341O[CH](CO[P](O)(O)=O)[CH](O)c1c[nH]c2ccccc12
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)[C@@H]([C@@H](COP(=O)(O)O)O)O
CACTVS 3.341O[C@H](CO[P](O)(O)=O)[C@@H](O)c1c[nH]c2ccccc12
ACDLabs 10.04O=P(O)(O)OCC(O)C(O)c2c1ccccc1nc2
Name:INDOLE-3-GLYCEROL PHOSPHATE
DrugBank: DB04143

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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