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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02216614

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.72
DR15-METHYL-5H-INDOLO[3,2-B]QUINOLINEA1K9G0.79
NYLN-ALLYL-ANILINEA1OVK0.8
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.77
SU23-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]-
2-INDOLINONE
A,B1AGW0.73
2MI2-METHYL-1H-INDOLEA2PIO0.7
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.72
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.72
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.72
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.72
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.72
34A3,4-DIMETHYLANILINEA1L4K0.74
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.74
XYD2,5-DIMETHYLANILINEA1L4L0.74
LGD6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-
4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-
ONE
A2HVC0.72
ISOPARA-ISOPROPYLANILINEA1BMA0.74
ISOPARA-ISOPROPYLANILINEA,B1ELC0.74
ISOPARA-ISOPROPYLANILINEA,B1ELB0.74
ISOPARA-ISOPROPYLANILINEA,B1ELA0.74
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.72
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.74
CVICRYSTAL VIOLETA,B,D,E1JTX0.71
A8BA1ODC0.75
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.73
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.76
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.77
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.71
566(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-
3-CARBOXAMIDE
A2H7I0.71
271N-methyl-1-phenylmethanamineX2RBT0.71
264(phenylamino)acetonitrileA2RBN0.79
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
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.72
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.7
PRY2-PROPYL-ANILINEA1OWY0.76
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.74
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.73
PYQPYROQUILONA1JA90.71
PYQPYROQUILONA,B,C,D1G0O0.71
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.8
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.71
PNZP-NITRO-BENZYLAMINEA,B2C700.71
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.71
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.71
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.71
IDMINDOLINEA,B3CEP0.95
IDMINDOLINEA1AEK0.95
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.72
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.72
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.72
ISNISATINA,B1OJA0.71
ISNISATINA,B2BK50.71
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.81
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.81
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.77
1MRN-METHYLANILINEX2OTZ0.76