BioLiP

PDB

BioLiP

PDB CCD ID:

015

Number of entries in BioLiP:

Chemical formula:

C18 H24 N2 O

InChI:

InChI=1S/C18H24N2O/c19-16(11-14-7-3-1-4-8-14)13-18(21)17(20)12-15-9-5-2-6-10-15/h1-10,16-18,21H,11-13,19-20H2/t16-,17-,18-/m0/s1

InChIKey:

BIZHLXOOWGXFLC-BZSNNMDCSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	OC(C(N)Cc1ccccc1)CC(N)Cc2ccccc2
CACTVS 3.370	N[CH](C[CH](O)[CH](N)Cc1ccccc1)Cc2ccccc2
CACTVS 3.370	N[C@H](C[C@H](O)[C@@H](N)Cc1ccccc1)Cc2ccccc2
OpenEye OEToolkits 1.7.0	c1ccc(cc1)CC(CC(C(Cc2ccccc2)N)O)N
OpenEye OEToolkits 1.7.0	c1ccc(cc1)C[C@@H](C[C@@H]([C@H](Cc2ccccc2)N)O)N

Name:

(2S,3S,5S)-2,5-diamino-1,6-diphenylhexan-3-ol

ZINC:

ZINC000021989078

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).