Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

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 CCD ID: CS3
Number of entries in BioLiP: 0
Chemical formula: C10 H13 N O3 S2
InChI: InChI=1S/C10H13NO3S2/c11-7(10(13)14)6-15-5-3-8(12)9-2-1-4-16-9/h1-2,4,7H,3,5-6,11H2,(H,13,14)/t7-/m0/s1
InChIKey: QMUFEUHDBQFJTK-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(c1sccc1)CCSCC(C(=O)O)N
CACTVS 3.341N[CH](CSCCC(=O)c1sccc1)C(O)=O
OpenEye OEToolkits 1.5.0c1cc(sc1)C(=O)CCSCC(C(=O)O)N
OpenEye OEToolkits 1.5.0c1cc(sc1)C(=O)CCSC[C@@H](C(=O)O)N
CACTVS 3.341N[C@@H](CSCCC(=O)c1sccc1)C(O)=O
Name:S-[3-OXO-3-(2-THIENYL)PROPYL]-L-CYSTEINE;
(R)-2-AMINO-3-(3-OXO-3-(THIOPHEN-2-YL)PROPYLTHIO)PROPANOIC ACID
ZINC: ZINC000058632416

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).
  • zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417