Display Options: Structure:  




Goto PDB code:

3D presentation of molecule is powered by 3Dmol, which supports all modern browsers and mobile devices via WebGL.

           
Hold mouse button: left to rotate,middle to shift,right to zoom

Related entries of code: 1d8m
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1b8yRCSB PDB    PDBbind167aa, >1B8Y:A|PDBID|CHAIN|... at 100%
1biwRCSB PDB    PDBbind173aa, >1BIW:B|PDBID|CHAIN|... at 100%
1bm6RCSB PDB    PDBbind173aa, >1BM6:A|PDBID|CHAIN|... at 100%
1bqoRCSB PDB    PDBbind173aa, >1BQO:B|PDBID|CHAIN|... at 100%
1c3iRCSB PDB    PDBbind173aa, >1C3I:B|PDBID|CHAIN|... at 100%
1caqRCSB PDB    PDBbind168aa, >1CAQ:A|PDBID|CHAIN|... at 100%
1cizRCSB PDB    PDBbind168aa, >1CIZ:A|PDBID|CHAIN|... at 100%
1d5jRCSB PDB    PDBbind173aa, >1D5J:B|PDBID|CHAIN|... at 100%
1d7xRCSB PDB    PDBbind173aa, >1D7X:B|PDBID|CHAIN|... at 100%
1d8fRCSB PDB    PDBbind173aa, >1D8F:B|PDBID|CHAIN|... at 100%
1g05RCSB PDB    PDBbind173aa, >1G05:B|PDBID|CHAIN|... at 100%
1g49RCSB PDB    PDBbind173aa, >1G49:B|PDBID|CHAIN|... at 100%
1g4kRCSB PDB    PDBbind168aa, >1G4K:C|PDBID|CHAIN|... at 100%
1hfsRCSB PDB    PDBbind160aa, >1HFS:A|PDBID|CHAIN|... at 100%
1hy7RCSB PDB    PDBbind173aa, >1HY7:B|PDBID|CHAIN|... at 100%
1slnRCSB PDB    PDBbind173aa, >1SLN:A|PDBID|CHAIN|... at 100%
1usnRCSB PDB    PDBbind165aa, >1USN:A|PDBID|CHAIN|... at 100%
2d1oRCSB PDB    PDBbind171aa, >2D1O:B|PDBID|CHAIN|... at 100%
2jnpRCSB PDB    PDBbind161aa, >2JNP:A|PDBID|CHAIN|... at 100%
2jt5RCSB PDB    PDBbind161aa, >2JT5:A|PDBID|CHAIN|... at 100%
2jt6RCSB PDB    PDBbind161aa, >2JT6:A|PDBID|CHAIN|... at 100%
2srtRCSB PDB    PDBbind173aa, >2SRT:A|PDBID|CHAIN|... at 100%
2usnRCSB PDB    PDBbind165aa, >2USN:A|PDBID|CHAIN|... at 100%
3usnRCSB PDB    PDBbind168aa, >3USN:A|PDBID|CHAIN|... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1g05RCSB PDB    PDBbindBBH

Entry Information
PDB ID1d8m
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namestromelysin-1 precursor
Ligand NameBBH
EC.Number E.C.3.4.24.17
Resolution 2.44(Å)
Affinity (Kd/Ki/IC50)IC50=3.1nM
Release Year2000
Protein/NA SequenceCheck fasta file
Primary ReferenceBioorg.Med.Chem.Lett. v11 pp. 1009-13, 2001
Ligand Properties
Formula C19H21N3O6S
Molecular Weight 419.452
Exact Mass 419.115
No. of atoms 50
No. of bonds 52
Polar Surface Area 124.63
LOGP Value 0.73      (Computed with XLOGP3)
2.30      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 3
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACUniProt accession number (AC): P08254  
Entrez Gene IDNCBI Entrez Gene ID: 4314  
ASDInformation of known allosteric effects of PDB entries

 
This site has been visited times since Nov 2007.


Address: LingLing Road 345, Shanghai, 200032, China      ICP NO: Shanghai-05005485-2
Group Leader: wangrx@mail.sioc.ac.cn      Tel: +86-21-54925128      Webmaster: liuhai@mail.sioc.ac.cn
Copyright ©2007-2019    Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences