BioLiP

PDB

BioLiP

PDB CCD ID:

P0H

Number of entries in BioLiP:

Chemical formula:

C15 H18 N2 O5

InChI:

InChI=1S/C15H18N2O5/c18-13(17-8-4-7-12(17)14(19)20)9-16-15(21)22-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,16,21)(H,19,20)/t12-/m0/s1

InChIKey:

ZTUKZKYDJMGJDC-LBPRGKRZSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(N1C(C(=O)O)CCC1)CNC(=O)OCc2ccccc2
CACTVS 3.370	OC(=O)[CH]1CCCN1C(=O)CNC(=O)OCc2ccccc2
CACTVS 3.370	OC(=O)[C@@H]1CCCN1C(=O)CNC(=O)OCc2ccccc2
OpenEye OEToolkits 1.7.0	c1ccc(cc1)COC(=O)NCC(=O)N2CCC[C@H]2C(=O)O
OpenEye OEToolkits 1.7.0	c1ccc(cc1)COC(=O)NCC(=O)N2CCCC2C(=O)O

Name:

N-[(benzyloxy)carbonyl]glycyl-L-proline

ZINC:

ZINC000002004342

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).