BioLiP

PDB

BioLiP

PDB CCD ID:

EWO

Number of entries in BioLiP:

Chemical formula:

C12 H12 F N3

InChI:

InChI=1S/C12H12FN3/c13-9-3-1-8(2-4-9)11-12-10(5-6-14-11)15-7-16-12/h1-4,7,11,14H,5-6H2,(H,15,16)/t11-/m1/s1

InChIKey:

ORABCGATFDOVFL-LLVKDONJSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1C2c3c([nH]cn3)CCN2)F
OpenEye OEToolkits 2.0.7	c1cc(ccc1[C@@H]2c3c([nH]cn3)CCN2)F
CACTVS 3.385	Fc1ccc(cc1)[CH]2NCCc3[nH]cnc23
CACTVS 3.385	Fc1ccc(cc1)[C@H]2NCCc3[nH]cnc23

Name:

(4R)-4-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

ZINC:

ZINC000005886621

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).