BioLiP

PDB

BioLiP

PDB CCD ID:

PKC

Number of entries in BioLiP:

Chemical formula:

C10 H16 N2 O

InChI:

InChI=1S/C10H16N2O/c11-7-10(13)9(12)6-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7,11-12H2/t9-,10+/m0/s1

InChIKey:

GBGREWJCXCRWFB-VHSXEESVSA-N

SMILES:

Software	SMILES
CACTVS 3.370	NC[C@@H](O)[C@@H](N)Cc1ccccc1
OpenEye OEToolkits 1.7.2	c1ccc(cc1)CC(C(CN)O)N
OpenEye OEToolkits 1.7.2	c1ccc(cc1)C[C@@H]([C@@H](CN)O)N
CACTVS 3.370	NC[CH](O)[CH](N)Cc1ccccc1
ACDLabs 12.01	OC(C(N)Cc1ccccc1)CN

Name:

(2R,3S)-1,3-diamino-4-phenylbutan-2-ol

ZINC:

ZINC000038292779

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).