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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03212611

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ISOPARA-ISOPROPYLANILINEA1BMA0.73
ISOPARA-ISOPROPYLANILINEA,B1ELC0.73
ISOPARA-ISOPROPYLANILINEA,B1ELB0.73
ISOPARA-ISOPROPYLANILINEA,B1ELA0.73
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.8
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.72
MGRMALACHITE GREENA,B3BQZ0.8
MGRMALACHITE GREENA1Q8N0.8
MGRMALACHITE GREENA,B3BR00.8
MGRMALACHITE GREENA,D,E3BTL0.8
MGRMALACHITE GREENA,B,D,E3BTC0.8
MGRMALACHITE GREENA,B,D,E1JUP0.8
LGD6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-
4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-
ONE
A2HVC0.77
1MRN-METHYLANILINEX2OTZ0.75
PRY2-PROPYL-ANILINEA1OWY0.77
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.74
34A3,4-DIMETHYLANILINEA1L4K0.73
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.81
A8BA1ODC0.77
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.77
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.77
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.7
DPKDEPRENYLA,B2BYB0.71
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.74
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.79
CVICRYSTAL VIOLETA,B,D,E1JTX0.8
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,J1CVW0.71
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,I1A4W0.71
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,I1FPC0.71
LI63,4-DIHYDROXY-1-METHYLQUINOLIN-
2(1H)-ONE
A1YXV0.72
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2Q6H0.73
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2QEI0.73
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.87
NYLN-ALLYL-ANILINEA1OVK0.75
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.71
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.74
264(phenylamino)acetonitrileA2RBN0.73
DR15-METHYL-5H-INDOLO[3,2-B]QUINOLINEA1K9G0.78
MNS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDEA1OKL0.71
G3E3-hydroxyquinolin-2(1H)-oneA,B,C,D3G3E0.73
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.71
IDMINDOLINEA,B3CEP0.78
IDMINDOLINEA1AEK0.78
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.79
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.76
XYD2,5-DIMETHYLANILINEA1L4L0.76
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.7
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEC1LXF0.72
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEA1DTL0.72
DSY5-(DIMETHYLAMINO)-2-NAPHTHALENESULFONIC ACIDC,D1BDA0.71