BioLiP

PDB

BioLiP

PDB CCD ID:

COR

Number of entries in BioLiP:

Chemical formula:

C17 H22 N2 O

InChI:

InChI=1S/C17H22N2O/c18-15(11-13-7-3-1-4-8-13)17(20)16(19)12-14-9-5-2-6-10-14/h1-10,15-17,20H,11-12,18-19H2/t15-,16-/m0/s1

InChIKey:

GZBLEJZADHZBBZ-HOTGVXAUSA-N

SMILES:

Software	SMILES
CACTVS 3.341	N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](N)Cc2ccccc2
ACDLabs 10.04	OC(C(N)Cc1ccccc1)C(N)Cc2ccccc2
OpenEye OEToolkits 1.5.0	c1ccc(cc1)C[C@@H](C([C@H](Cc2ccccc2)N)O)N
CACTVS 3.341	N[CH](Cc1ccccc1)[CH](O)[CH](N)Cc2ccccc2
OpenEye OEToolkits 1.5.0	c1ccc(cc1)CC(C(C(Cc2ccccc2)N)O)N

Name:

2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANE

ChEMBL:

CHEMBL9417

DrugBank:

DB07575

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).