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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02486897

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.7
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.7
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.76
2631-(azidomethyl)-3-methylbenzeneX2RB20.73
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.7
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.7
ISOPARA-ISOPROPYLANILINEA1BMA0.84
ISOPARA-ISOPROPYLANILINEA,B1ELC0.84
ISOPARA-ISOPROPYLANILINEA,B1ELB0.84
ISOPARA-ISOPROPYLANILINEA,B1ELA0.84
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.74
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.78
3NT3-NITROTOLUENEA,B2BMR0.72
3NT3-NITROTOLUENEA,B2HMO0.72
9AP9-AMINOPHENANTHRENEA1EGY0.84
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
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.76
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.78
XYD2,5-DIMETHYLANILINEA1L4L0.78
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.76
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.77
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.77
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.77
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.77
PBZP-AMINO BENZAMIDINEA,B2BDG0.75
PBZP-AMINO BENZAMIDINEA1RFN0.75
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.75
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.75
PBZP-AMINO BENZAMIDINEA1FIZ0.75
PBZP-AMINO BENZAMIDINEA1FIW0.75
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.75
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.72
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.72
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.73
PNZP-NITRO-BENZYLAMINEA,B2C700.73
TNL2,4,6-TRINITROTOLUENEA1GVR0.7
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.8
34A3,4-DIMETHYLANILINEA1L4K0.82
DR15-METHYL-5H-INDOLO[3,2-B]QUINOLINEA1K9G0.72
PRY2-PROPYL-ANILINEA1OWY0.81
ANLANILINEA2OV40.71
ANLANILINEA1AEE0.71
ANLANILINEA1PPA0.71
ANLANILINEA1HJ90.71
CVICRYSTAL VIOLETA,B,D,E1JTX0.78
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.72
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.73
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.79
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.7
BRNBERENILA,B268D0.75
BRNBERENILA,B1D630.75
BRNBERENILA,D,E2GBY0.75
BRNBERENILA2DBE0.75
BRNBERENILA2GVR0.75
MGRMALACHITE GREENA,B3BQZ0.78
MGRMALACHITE GREENA1Q8N0.78
MGRMALACHITE GREENA,B3BR00.78
MGRMALACHITE GREENA,D,E3BTL0.78
MGRMALACHITE GREENA,B,D,E3BTC0.78
MGRMALACHITE GREENA,B,D,E1JUP0.78
ANCANTHRACEN-1-YLAMINEA,B1GT10.83
ANCANTHRACEN-1-YLAMINEA,B1HN20.83