BioLiP

PDB

BioLiP

PDB CCD ID:

FV0

Number of entries in BioLiP:

Chemical formula:

C14 H24 N2 O

InChI:

InChI=1S/C14H24N2O/c1-11(2)9-16-10-14(17)13(15)8-12-6-4-3-5-7-12/h3-7,11,13-14,16-17H,8-10,15H2,1-2H3/t13-,14+/m0/s1

InChIKey:

RHCZPSYTFNEZBK-UONOGXRCSA-N

SMILES:

Software	SMILES
CACTVS 3.370	CC(C)CNC[C@@H](O)[C@@H](N)Cc1ccccc1
ACDLabs 12.01	OC(C(N)Cc1ccccc1)CNCC(C)C
OpenEye OEToolkits 1.7.2	CC(C)CNC[C@H]([C@H](Cc1ccccc1)N)O
OpenEye OEToolkits 1.7.2	CC(C)CNCC(C(Cc1ccccc1)N)O
CACTVS 3.370	CC(C)CNC[CH](O)[CH](N)Cc1ccccc1

Name:

(2R,3S)-3-amino-1-[(2-methylpropyl)amino]-4-phenylbutan-2-ol

ZINC:

ZINC000098208906

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).