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:

FZS

Number of entries in BioLiP:

Chemical formula:

C14 H17 N5 O5 S2

InChI:

InChI=1S/C14H17N5O5S2/c1-6-4-25-12(18-9(6)13(22)23)7(3-20)16-11(21)10(19-24-2)8-5-26-14(15)17-8/h5,7,12,20H,1,3-4H2,2H3,(H2,15,17)(H,16,21)(H,22,23)/b19-10-/t7-,12+/m0/s1

InChIKey:

BPQMPOALEVUCBW-FFHDXYSJSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H](CO)[C@@H]2N=C(C(=C)CS2)C(=O)O
CACTVS 3.385	CON=C(C(=O)N[CH](CO)[CH]1SCC(=C)C(=N1)C(O)=O)c2csc(N)n2
CACTVS 3.385	CO\N=C(/C(=O)N[C@@H](CO)[C@H]1SCC(=C)C(=N1)C(O)=O)c2csc(N)n2
OpenEye OEToolkits 2.0.6	CON=C(c1csc(n1)N)C(=O)NC(CO)C2N=C(C(=C)CS2)C(=O)O
ACDLabs 12.01	OCC(NC(\C(=N/OC)c1csc(N)n1)=O)C2N=C(C(O)=O)C(=C)/CS2

Name:

(2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid;
Ceftriaxone open, bound form

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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