BioLiP

PDB

BioLiP

PDB CCD ID:

D7P

Number of entries in BioLiP:

Chemical formula:

C15 H25 N7 O4

InChI:

InChI=1S/C15H25N7O4/c16-11(9-10-5-2-1-3-6-10)14(24)20-12(13(17)23)7-4-8-19-15(18)21-22(25)26/h1-3,5-6,11-12,25-26H,4,7-9,16H2,(H2,17,23)(H,20,24)(H3,18,19,21)/t11-,12-/m1/s1

InChIKey:

XHGCEQHFMHULSW-VXGBXAGGSA-N

SMILES:

Software	SMILES
CACTVS 3.341	N[CH](Cc1ccccc1)C(=O)N[CH](CCCNC(=N)NN(O)O)C(N)=O
CACTVS 3.341	N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(=N)NN(O)O)C(N)=O
ACDLabs 10.04	O=C(N)C(NC(=O)C(N)Cc1ccccc1)CCCNC(=[N@H])NN(O)O
OpenEye OEToolkits 1.5.0	c1ccc(cc1)C[C@H](C(=O)N[C@H](CCCNC(=N)NN(O)O)C(=O)N)N
OpenEye OEToolkits 1.5.0	c1ccc(cc1)CC(C(=O)NC(CCCNC(=N)NN(O)O)C(=O)N)N

Name:

D-PHENYLALANYL-N~5~-[(2,2-DIHYDROXYHYDRAZINO)(IMINO)METHYL]-D-ORNITHINAMIDE;
D-PHENYLALANINE-D-NITROARGININE AMIDE

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).