BioLiP Library

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●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●DeepMSA2 ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

BioLiP Library

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, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
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).

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