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:

SJN

Number of entries in BioLiP:

Chemical formula:

C10 H8 N2 O3

InChI:

InChI=1S/C10H8N2O3/c1-5-2-3-6-8(13)7(10(14)15)4-11-9(6)12-5/h2-4H,1H3,(H,14,15)(H,11,12,13)

InChIKey:

WHJTTWIMQIGVJK-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1ccc2C(=O)C(=CNc2n1)C(O)=O
OpenEye OEToolkits 2.0.7	Cc1ccc2c(n1)NC=C(C2=O)C(=O)O

Name:

4-Hydroxy-7-methyl-1,8-naphthyridine-3-carboxylic acid;
7-methyl-4-oxidanylidene-3~{H}-1,8-naphthyridine-3-carboxylic acid;
1,4-Dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid;
1,4-Dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid;
7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid;
3-Carboxy-4-hydroxy-7-methyl-1,8-naphthyridine

ZINC:

ZINC000008627647

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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