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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02903263

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3NT3-NITROTOLUENEA,B2BMR0.74
3NT3-NITROTOLUENEA,B2HMO0.74
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.71
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.72
5NS5-aminonaphthalene-1-sulfonic acidA,B3CFT0.71
5AN3,5-DIFLUOROANILINEA1LGX0.73
ANLANILINEA2OV40.77
ANLANILINEA1AEE0.77
ANLANILINEA1PPA0.77
ANLANILINEA1HJ90.77
PHZ1-PHENYLHYDRAZINEA2E2T0.72
PHZ1-PHENYLHYDRAZINED,H2AGL0.72
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.7
3AB3-aminobenzamideA,B,C,D3GOY0.7
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.72
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.72
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.72
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.74
ISOPARA-ISOPROPYLANILINEA1BMA0.95
ISOPARA-ISOPROPYLANILINEA,B1ELC0.95
ISOPARA-ISOPROPYLANILINEA,B1ELB0.95
ISOPARA-ISOPROPYLANILINEA,B1ELA0.95
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
34A3,4-DIMETHYLANILINEA1L4K0.91
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.86
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.76
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.86
XYD2,5-DIMETHYLANILINEA1L4L0.86
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.74
PNZP-NITRO-BENZYLAMINEA,B2C700.74
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.74
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.74
PRY2-PROPYL-ANILINEA1OWY0.89
ABNBENZYLAMINED,H2HXC0.71
ABNBENZYLAMINEA,I1A860.71
ABNBENZYLAMINEA1UTN0.71
ABNBENZYLAMINEA1N6X0.71
ABNBENZYLAMINEA2BZA0.71
ABNBENZYLAMINEA2EUS0.71
ABNBENZYLAMINEA1N6Y0.71
ABNBENZYLAMINEA1UTJ0.71
1AN2-FLUOROANILINEA1LGW0.75
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.76
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.73
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.73
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.73
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.73
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.72
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.76
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.74
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.72
CVICRYSTAL VIOLETA,B,D,E1JTX0.77
PBZP-AMINO BENZAMIDINEA,B2BDG0.79
PBZP-AMINO BENZAMIDINEA1RFN0.79
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.79
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.79
PBZP-AMINO BENZAMIDINEA1FIZ0.79
PBZP-AMINO BENZAMIDINEA1FIW0.79
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.79
PRA3-PHENYLPROPYLAMINEA1TNK0.7
PRA3-PHENYLPROPYLAMINEM1UTL0.7
TNL2,4,6-TRINITROTOLUENEA1GVR0.7
ANCANTHRACEN-1-YLAMINEA,B1GT10.81
ANCANTHRACEN-1-YLAMINEA,B1HN20.81
PBN4-PHENYLBUTYLAMINEA1TNI0.7
PBN4-PHENYLBUTYLAMINEA1UTP0.7
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.73
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.73
IDMINDOLINEA,B3CEP0.73
IDMINDOLINEA1AEK0.73
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.7
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.84
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.83
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.76
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.73
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.83
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.83
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.83
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.83
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.71
9AP9-AMINOPHENANTHRENEA1EGY0.82
2631-(azidomethyl)-3-methylbenzeneX2RB20.71
MGRMALACHITE GREENA,B3BQZ0.77
MGRMALACHITE GREENA1Q8N0.77
MGRMALACHITE GREENA,B3BR00.77
MGRMALACHITE GREENA,D,E3BTL0.77
MGRMALACHITE GREENA,B,D,E3BTC0.77
MGRMALACHITE GREENA,B,D,E1JUP0.77
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.82
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.76
N2M5-AMINO-NAPHTALENE-2-MONOSULFONATEC,D1HKN0.71
BRNBERENILA,B268D0.75
BRNBERENILA,B1D630.75
BRNBERENILA,D,E2GBY0.75
BRNBERENILA2DBE0.75
BRNBERENILA2GVR0.75
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.71
PEA2-PHENYLETHYLAMINEA1TNJ0.71
PEA2-PHENYLETHYLAMINED,H2HKM0.71
PEA2-PHENYLETHYLAMINEA1UTO0.71
PEA2-PHENYLETHYLAMINEA,B1D6Y0.71
PEA2-PHENYLETHYLAMINEA,B1D6Z0.71
PEA2-PHENYLETHYLAMINEA,B1D6U0.71
PEA2-PHENYLETHYLAMINEA1UTM0.71
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.7
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.72
1MRN-METHYLANILINEX2OTZ0.71
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.84