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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03242979

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.73
PRY2-PROPYL-ANILINEA1OWY0.78
1MRN-METHYLANILINEX2OTZ0.74
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.72
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.78
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.75
XYD2,5-DIMETHYLANILINEA1L4L0.75
MGRMALACHITE GREENA,B3BQZ0.83
MGRMALACHITE GREENA1Q8N0.83
MGRMALACHITE GREENA,B3BR00.83
MGRMALACHITE GREENA,D,E3BTL0.83
MGRMALACHITE GREENA,B,D,E3BTC0.83
MGRMALACHITE GREENA,B,D,E1JUP0.83
34A3,4-DIMETHYLANILINEA1L4K0.74
DSY5-(DIMETHYLAMINO)-2-NAPHTHALENESULFONIC ACIDC,D1BDA0.74
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.85
ANCANTHRACEN-1-YLAMINEA,B1GT10.72
ANCANTHRACEN-1-YLAMINEA,B1HN20.72
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.72
DR15-METHYL-5H-INDOLO[3,2-B]QUINOLINEA1K9G0.81
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.73
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.76
CVICRYSTAL VIOLETA,B,D,E1JTX0.83
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.71
MNS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDEA1OKL0.74
IDMINDOLINEA,B3CEP0.79
IDMINDOLINEA1AEK0.79
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.76
DZP7-CHLORO-1-METHYL-5-PHENYL-1,3-
DIHYDRO-2H-1,4-BENZODIAZEPIN-2-
ONE
A,B2BXF0.71
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.7
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2Q6H0.85
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2QEI0.85
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,J1CVW0.74
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,I1A4W0.74
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,I1FPC0.74
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.8
LGD6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-
4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-
ONE
A2HVC0.71
NYLN-ALLYL-ANILINEA1OVK0.74
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.9
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.9
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEC1LXF0.74
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEA1DTL0.74
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.73
9AP9-AMINOPHENANTHRENEA1EGY0.71
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.95
ISOPARA-ISOPROPYLANILINEA1BMA0.76
ISOPARA-ISOPROPYLANILINEA,B1ELC0.76
ISOPARA-ISOPROPYLANILINEA,B1ELB0.76
ISOPARA-ISOPROPYLANILINEA,B1ELA0.76
DPKDEPRENYLA,B2BYB0.72
264(phenylamino)acetonitrileA2RBN0.72
A8BA1ODC0.71