BioLiP

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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 ●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

PDB

BioLiP

PDB CCD ID:

0J4

Number of entries in BioLiP:

Chemical formula:

C9 H9 N5 O4

InChI:

InChI=1S/C9H9N5O4/c1-2(8(17)18)4-5(15)3-6(14-13-4)11-9(10)12-7(3)16/h2H,1H3,(H,17,18)(H4,10,11,12,14,15,16)/t2-/m1/s1

InChIKey:

GMTZUGVMBRNPHI-UWTATZPHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C[C@H](C1=NNC2=C(C1=O)C(=O)NC(=N2)N)C(=O)O
ACDLabs 12.01	O=C(O)C(C1=NNC=2N=C(NC(=O)C=2C1=O)N)C
CACTVS 3.370	C[CH](C(O)=O)C1=NNC2=C(C(=O)NC(=N2)N)C1=O
CACTVS 3.370	C[C@@H](C(O)=O)C1=NNC2=C(C(=O)NC(=N2)N)C1=O
OpenEye OEToolkits 1.7.6	CC(C1=NNC2=C(C1=O)C(=O)NC(=N2)N)C(=O)O

Name:

(2R)-2-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acid

ZINC:

ZINC000095920535

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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