Reaction Details Report a problem with these data
Target
Transient receptor potential cation channel subfamily V member 6
Ligand
BDBM50502760
Substrate
n/a
Meas. Tech.
ChEMBL_1808816 (CHEMBL4308175)
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:
BDBM50502760
Synonyms:
CHEMBL4475503
Type:
Small organic molecule
Emp. Form.:
C22H29N3
Mol. Mass.:
335.4858
SMILES:
C(N1CCN(CC1)[C@H]1CC[C@H](CC1)c1ccccc1)c1cccnc1 |r,wD:10.14,7.7,(41.62,-7.09,;40.08,-7.07,;39.29,-8.4,;37.76,-8.38,;37.01,-7.04,;37.78,-5.71,;39.32,-5.73,;35.48,-7.02,;34.71,-5.68,;33.17,-5.67,;32.42,-7,;33.16,-8.34,;34.69,-8.35,;30.87,-6.99,;30.12,-5.66,;28.58,-5.65,;27.8,-6.98,;28.56,-8.32,;30.11,-8.32,;42.37,-8.43,;43.89,-8.44,;44.65,-9.78,;43.86,-11.11,;42.33,-11.09,;41.57,-9.75,)|
Structure:
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