Reaction Details  Report a problem with these data
Target
Transient receptor potential cation channel subfamily V member 6
Ligand
BDBM50502762
Substrate
n/a
Meas. Tech.
ChEMBL_1808810 (CHEMBL4308169)
IC50
1700±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:
BDBM50502762
Synonyms:
CHEMBL4579017
Type:
Small organic molecule
Emp. Form.:
C29H34N4
Mol. Mass.:
438.6071
SMILES:
C(N1CCN(CC1)[C@H]1CC[C@H](CC1)c1ccccc1)c1ccc(cc1)\N=N/c1ccccc1 |r,wD:7.7,10.14,(48.79,-30.7,;47.25,-30.68,;46.49,-29.34,;44.95,-29.32,;44.17,-30.65,;44.93,-31.99,;46.46,-32,;42.64,-30.63,;41.88,-29.29,;40.33,-29.27,;39.57,-30.61,;40.32,-31.94,;41.85,-31.95,;38.03,-30.6,;37.26,-31.93,;35.7,-31.92,;34.94,-30.58,;35.72,-29.25,;37.27,-29.27,;49.55,-32.04,;51.07,-32.05,;51.83,-33.39,;51.05,-34.72,;49.5,-34.7,;48.75,-33.36,;51.8,-36.06,;53.33,-36.07,;54.17,-34.77,;53.45,-33.41,;54.29,-32.12,;55.83,-32.19,;56.54,-33.56,;55.7,-34.85,)|
Structure:
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