SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C24 H20 N4

InChI:

InChI=1S/C24H20N4/c25-17-23-24(21-13-7-8-14-22(21)27-28-23)26-16-15-20(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,20H,15-16H2,(H,26,27)

InChIKey:

OKYZTEUAKHHRRB-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N#Cc1nnc2ccccc2c1NCCC(c3ccccc3)c4ccccc4
OpenEye OEToolkits 2.0.6	c1ccc(cc1)C(CCNc2c3ccccc3nnc2C#N)c4ccccc4

Name:

4-(3,3-diphenylpropylamino)cinnoline-3-carbonitrile

ChEMBL:

ZINC:

ZINC000006578882

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).