BioLiP

PDB

BioLiP

PDB CCD ID:

0QX

Number of entries in BioLiP:

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:

Software	SMILES
ACDLabs 12.01	n4ccc1c(nc(n1)Cc3c2ccccc2nc3)c4
CACTVS 3.370	C(c1[nH]c2ccncc2n1)c3c[nH]c4ccccc34
OpenEye OEToolkits 1.7.6	c1ccc2c(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, Lydia 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).