BioLiP

PDB

BioLiP

PDB CCD ID:

1M1

Number of entries in BioLiP:

Chemical formula:

C19 H14 N4

InChI:

InChI=1S/C19H14N4/c1-2-8-14-13(7-1)18-22-15-9-3-4-11-17(15)23(18)19(21-14)16-10-5-6-12-20-16/h1-12,19,21H/t19-/m1/s1

InChIKey:

ZMZZAQWHHFSQPH-LJQANCHMSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1ccc2c(c1)-c3nc4ccccc4n3C(N2)c5ccccn5
OpenEye OEToolkits 1.7.6	c1ccc2c(c1)-c3nc4ccccc4n3[C@@H](N2)c5ccccn5
ACDLabs 12.01	n2c1c(cccc1)n4c2c5c(NC4c3ncccc3)cccc5
CACTVS 3.370	N1[CH](n2c3ccccc3nc2c4ccccc14)c5ccccn5
CACTVS 3.370	N1[C@H](n2c3ccccc3nc2c4ccccc14)c5ccccn5

Name:

(6R)-6-(pyridin-2-yl)-5,6-dihydrobenzimidazo[1,2-c]quinazoline

ZINC:

ZINC000013127638

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).