Reaction Details Report a problem with these data
Target
High mobility group protein B1
Ligand
BDBM66082
Substrate
n/a
Meas. Tech.
ChEMBL_1710851 (CHEMBL4120900)
Kd
24±n/a nM
Citation
 VanPatten, S; Al-Abed, Y High Mobility Group Box-1 (HMGb1): Current Wisdom and Advancement as a Potential Drug Target. J Med Chem 61:5093-5107 (2018) [PubMed]  Article 
Target
Name:
High mobility group protein B1
Synonyms:
HMG-1 | HMG1 | HMGB1 | HMGB1_HUMAN | High mobility group protein 1
Type:
PROTEIN
Mol. Mass.:
24889.95
Organism:
Homo sapiens (Human)
Description:
ChEMBL_936211
Residue:
215
Sequence:
MGKGDPKKPRGKMSSYAFFVQTCREEHKKKHPDASVNFSEFSKKCSERWKTMSAKEKGKFEDMAKADKARYEREMKTYIPPKGETKKKFKDPNAPKRPPSAFFLFCSEYRPKIKGEHPGLSIGDVAKKLGEMWNNTAADDKQPYEKKAAKLKEKYEKDIAAYRAKGKPDAAKKGVVKAEKSKKKKEEEEDEEDEEDEEEEEDEEDEDEEEDDDDE
  
Inhibitor
Name:
BDBM66082
Synonyms:
(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]glutaric acid;hydrate | (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;hydrate | (2S)-2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid;hydrate | (2S)-2-[[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid;hydrate | L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]- [CAS] | MLS001401431 | SMR000449324 | US11530198, Example Methotrexate | cid_165528
Type:
Small organic molecule
Emp. Form.:
C20H22N8O5
Mol. Mass.:
454.4393
SMILES:
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Structure:
Search PDB for entries with ligand similarity: