BioLiP

PDB

BioLiP

PDB CCD ID:

MY4

Number of entries in BioLiP:

Chemical formula:

C14 H19 N3 O5

InChI:

InChI=1S/C14H19N3O5/c15-17(9-13(20)21)12(19)8-11(18)14(22)16-7-6-10-4-2-1-3-5-10/h1-5,11,18H,6-9,15H2,(H,16,22)(H,20,21)/t11-/m0/s1

InChIKey:

FAEIAIPIEHOWKC-NSHDSACASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc(cc1)CCNC(=O)C(CC(=O)N(CC(=O)O)N)O
CACTVS 3.341	NN(CC(O)=O)C(=O)C[C@H](O)C(=O)NCCc1ccccc1
OpenEye OEToolkits 1.5.0	c1ccc(cc1)CCNC(=O)[C@H](CC(=O)N(CC(=O)O)N)O
CACTVS 3.341	NN(CC(O)=O)C(=O)C[CH](O)C(=O)NCCc1ccccc1
ACDLabs 10.04	O=C(O)CN(N)C(=O)CC(O)C(=O)NCCc1ccccc1

Name:

(1-{(3S)-3-HYDROXY-4-OXO-4-[(2-PHENYLETHYL)AMINO]BUTANOYL}HYDRAZINO)ACETIC ACID

ZINC:

ZINC000058649540

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).