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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02223770

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.72
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.72
URSN-PHENYLTHIOUREAA,B1BUG0.72
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.8
NYLN-ALLYL-ANILINEA1OVK0.82
ANLANILINEA2OV40.7
ANLANILINEA1AEE0.7
ANLANILINEA1PPA0.7
ANLANILINEA1HJ90.7
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.7
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.7
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.71
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.75
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.74
CVICRYSTAL VIOLETA,B,D,E1JTX0.71
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.7
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.72
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.72
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEC1LXF0.71
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEA1DTL0.71
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.75
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.71
PL01-phenylguanidineA2O8W0.71
MGRMALACHITE GREENA,B3BQZ0.71
MGRMALACHITE GREENA1Q8N0.71
MGRMALACHITE GREENA,B3BR00.71
MGRMALACHITE GREENA,D,E3BTL0.71
MGRMALACHITE GREENA,B,D,E3BTC0.71
MGRMALACHITE GREENA,B,D,E1JUP0.71
OSPSULTHIAMEA2Q1Q0.74
1MRN-METHYLANILINEX2OTZ0.78
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.75
264(phenylamino)acetonitrileA2RBN0.86
IDMINDOLINEA,B3CEP0.7
IDMINDOLINEA1AEK0.7
BSU1,3-DIPHENYLUREAA3E850.72
BSU1,3-DIPHENYLUREAA2ZJF0.72
DR15-METHYL-5H-INDOLO[3,2-B]QUINOLINEA1K9G0.73