Reaction Details Report a problem with these data
Target
Transient receptor potential cation channel subfamily V member 6
Ligand
BDBM50502761
Substrate
n/a
Meas. Tech.
ChEMBL_1808807 (CHEMBL4308166)
IC50
600±n/a nM
Citation
 Cunha, MR; Bhardwaj, R; Lindinger, S; Butorac, C; Romanin, C; Hediger, MA; Reymond, JL Photoswitchable Inhibitor of the Calcium Channel TRPV6. ACS Med Chem Lett 10:1341-1345 (2019) [PubMed]  Article 
Target
Name:
Transient receptor potential cation channel subfamily V member 6
Synonyms:
CaT-L | CaT-like | CaT1 | Calcium transport protein 1 | ECAC2 | Epithelial calcium channel 2 | TRPV6 | TRPV6_HUMAN
Type:
PROTEIN
Mol. Mass.:
87295.84
Organism:
Homo sapiens (Human)
Description:
ChEMBL_103784
Residue:
765
Sequence:
MGPLQGDGGPALGGADVAPRLSPVRVWPRPQAPKEPALHPMGLSLPKEKGLILCLWSKFCRWFQRRESWAQSRDEQNLLQQKRIWESPLLLAAKDNDVQALNKLLKYEDCKVHQRGAMGETALHIAALYDNLEAAMVLMEAAPELVFEPMTSELYEGQTALHIAVVNQNMNLVRALLARRASVSARATGTAFRRSPCNLIYFGEHPLSFAACVNSEEIVRLLIEHGADIRAQDSLGNTVLHILILQPNKTFACQMYNLLLSYDRHGDHLQPLDLVPNHQGLTPFKLAGVEGNTVMFQHLMQKRKHTQWTYGPLTSTLYDLTEIDSSGDEQSLLELIITTKKREARQILDQTPVKELVSLKWKRYGRPYFCMLGAIYLLYIICFTMCCIYRPLKPRTNNRTSPRDNTLLQQKLLQEAYMTPKDDIRLVGELVTVIGAIIILLVEVPDIFRMGVTRFFGQTILGGPFHVLIITYAFMVLVTMVMRLISASGEVVPMSFALVLGWCNVMYFARGFQMLGPFTIMIQKMIFGDLMRFCWLMAVVILGFASAFYIIFQTEDPEELGHFYDYPMALFSTFELFLTIIDGPANYNVDLPFMYSITYAAFAIIATLLMLNLLIAMMGDTHWRVAHERDELWRAQIVATTVMLERKLPRCLWPRSGICGREYGLGDRWFLRVEDRQDLNRQRIQRYAQAFHTRGSEDLDKDSVEKLELGCPFSPHLSLPMPSVSRSTSRSSANWERLRQGTLRRDLRGIINRGLEDGESWEYQI
  
Inhibitor
Name:
BDBM50502761
Synonyms:
CHEMBL4448267
Type:
Small organic molecule
Emp. Form.:
C28H33N5
Mol. Mass.:
439.5951
SMILES:
C(N1CCN(CC1)[C@H]1CC[C@H](CC1)c1ccccc1)c1ccc(\N=N\c2ccccc2)nc1 |r,wD:10.14,7.7,(20.9,-30.41,;19.36,-30.39,;18.57,-31.72,;17.04,-31.7,;16.28,-30.36,;17.06,-29.04,;18.6,-29.06,;14.74,-30.34,;13.99,-29,;12.44,-28.98,;11.68,-30.32,;12.43,-31.66,;13.97,-31.67,;10.14,-30.31,;9.38,-28.98,;7.84,-28.96,;7.05,-30.29,;7.81,-31.64,;9.37,-31.64,;21.66,-31.75,;23.19,-31.76,;23.94,-33.1,;23.16,-34.44,;23.91,-35.78,;25.45,-35.8,;26.2,-37.14,;25.42,-38.46,;26.17,-39.8,;27.71,-39.82,;28.5,-38.48,;27.75,-37.14,;21.62,-34.42,;20.86,-33.08,)|
Structure:
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