BioLiP

PDB

BioLiP

PDB CCD ID:

ZUK

Number of entries in BioLiP:

Chemical formula:

C9 H13 N3 O2

InChI:

InChI=1S/C9H13N3O2/c10-7(9(13)14)3-1-4-8-11-5-2-6-12-8/h2,5-7H,1,3-4,10H2,(H,13,14)/t7-/m1/s1

InChIKey:

UREVLRRGQRTHIJ-SSDOTTSWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1cnc(nc1)CCC[C@H](C(=O)O)N
CACTVS 3.352	N[C@H](CCCc1ncccn1)C(O)=O
ACDLabs 11.02	O=C(O)C(N)CCCc1ncccn1
CACTVS 3.352	N[CH](CCCc1ncccn1)C(O)=O
OpenEye OEToolkits 1.7.0	c1cnc(nc1)CCCC(C(=O)O)N

Name:

5-pyrimidin-2-yl-D-norvaline

ZINC:

ZINC000058649883

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).