Reaction Details Report a problem with these data
Target
Transient receptor potential cation channel subfamily V member 6
Ligand
BDBM50502757
Substrate
n/a
Meas. Tech.
ChEMBL_1808810 (CHEMBL4308169)
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:
BDBM50502757
Synonyms:
CHEMBL4470714
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,(56.85,-13.19,;55.31,-13.17,;54.55,-11.83,;53.01,-11.81,;52.23,-13.13,;52.99,-14.48,;54.52,-14.49,;50.7,-13.12,;49.94,-11.78,;48.39,-11.76,;47.63,-13.1,;48.38,-14.43,;49.92,-14.44,;46.09,-13.09,;45.33,-11.76,;43.79,-11.74,;43.01,-13.07,;43.77,-14.41,;45.32,-14.42,;57.61,-14.53,;59.14,-14.54,;59.89,-15.88,;59.11,-17.21,;59.86,-18.55,;61.4,-18.56,;62.11,-17.2,;61.28,-15.91,;61.99,-14.54,;63.54,-14.47,;64.36,-15.78,;63.65,-17.14,;57.57,-17.19,;56.81,-15.85,)|
Structure:
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