BioLiP

PDB

BioLiP

PDB CCD ID:

745

Number of entries in BioLiP:

Chemical formula:

C20 H18 N2

InChI:

InChI=1S/C20H18N2/c21-20(22)17-9-7-14-10-16(8-6-15(14)11-17)19-12-18(19)13-4-2-1-3-5-13/h1-11,18-19H,12H2,(H3,21,22)/t18-,19-/m0/s1

InChIKey:

NQRIWXVAIWPBEM-OALUTQOASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	[H]/N=C(/c1ccc2cc(ccc2c1)[C@@H]3C[C@H]3c4ccccc4)\N
OpenEye OEToolkits 1.5.0	[H]N=C(c1ccc2cc(ccc2c1)C3CC3c4ccccc4)N
CACTVS 3.341	NC(=N)c1ccc2cc(ccc2c1)[CH]3C[CH]3c4ccccc4
ACDLabs 10.04	[N@H]=C(N)c2ccc1cc(ccc1c2)C4CC4c3ccccc3
CACTVS 3.341	NC(=N)c1ccc2cc(ccc2c1)[C@@H]3C[C@H]3c4ccccc4

Name:

TRANS-6-(2-PHENYLCYCLOPROPYL)-NAPHTHALENE-2-CARBOXAMIDINE

DrugBank:

DB03476

ZINC:

ZINC000006581941

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).