BioLiP

PDB

BioLiP

PDB CCD ID:

JD7

Number of entries in BioLiP:

Chemical formula:

C14 H13 N3

InChI:

InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2/t14-/m0/s1

InChIKey:

CLPFFLWZZBQMAO-AWEZNQCLSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(ccc1C#N)C2CCCc3n2cnc3
OpenEye OEToolkits 2.0.6	c1cc(ccc1C#N)[C@@H]2CCCc3n2cnc3
ACDLabs 12.01	C1Cc3n(C(C1)c2ccc(cc2)C#N)cnc3
CACTVS 3.385	N#Cc1ccc(cc1)[C@@H]2CCCc3cncn23
CACTVS 3.385	N#Cc1ccc(cc1)[CH]2CCCc3cncn23

Name:

4-[(5S)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile;
fadrozole

ChEMBL:

CHEMBL31215

ZINC:

ZINC000000006398

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).