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BioLiP

PDB CCD ID: 0QX
Number of entries in BioLiP: 1
Chemical formula: C15 H12 N4
InChI: InChI=1S/C15H12N4/c1-2-4-12-11(3-1)10(8-17-12)7-15-18-13-5-6-16-9-14(13)19-15/h1-6,8-9,17H,7H2,(H,18,19)
InChIKey: IYXGZEZOEUQOLV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n4ccc1c(nc(n1)Cc3c2ccccc2nc3)c4
CACTVS 3.370C(c1[nH]c2ccncc2n1)c3c[nH]c4ccccc34
OpenEye OEToolkits 1.7.6c1ccc2c(c1)c(c[nH]2)Cc3[nH]c4ccncc4n3
Name:2-(1H-indol-3-ylmethyl)-1H-imidazo[4,5-c]pyridine
ChEMBL: CHEMBL2086791
ZINC: ZINC000072319612
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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