BioLiP

PDB

BioLiP

PDB CCD ID:

RRK

Number of entries in BioLiP:

Chemical formula:

C14 H16 N2

InChI:

InChI=1S/C14H16N2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-14H,15-16H2/t13-,14-/m1/s1

InChIKey:

PONXTPCRRASWKW-ZIAGYGMSSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	c1ccc(cc1)[C@H]([C@@H](c2ccccc2)N)N
CACTVS 3.385	N[C@@H]([C@H](N)c1ccccc1)c2ccccc2
CACTVS 3.385	N[CH]([CH](N)c1ccccc1)c2ccccc2
ACDLabs 12.01	C(C(c1ccccc1)N)(c2ccccc2)N
OpenEye OEToolkits 1.9.2	c1ccc(cc1)C(C(c2ccccc2)N)N

Name:

(1R,2R)-1,2-diphenylethane-1,2-diamine

ChEMBL:

CHEMBL381340

ZINC:

ZINC000091684259

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).