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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02827931

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.83
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.7
1AN2-FLUOROANILINEA1LGW0.72
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.72
PNZP-NITRO-BENZYLAMINEA,B2C700.72
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.81
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.85
N2M5-AMINO-NAPHTALENE-2-MONOSULFONATEC,D1HKN0.74
SBN2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILEA1JLQ0.71
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.72
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.7
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.7
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.7
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.7
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.7
2631-(azidomethyl)-3-methylbenzeneX2RB20.7
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
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.78
PRY2-PROPYL-ANILINEA1OWY0.89
5AN3,5-DIFLUOROANILINEA1LGX0.7
ANLANILINEA2OV40.75
ANLANILINEA1AEE0.75
ANLANILINEA1PPA0.75
ANLANILINEA1HJ90.75
9AP9-AMINOPHENANTHRENEA1EGY0.89
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.73
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.73
ANCANTHRACEN-1-YLAMINEA,B1GT10.88
ANCANTHRACEN-1-YLAMINEA,B1HN20.88
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.8
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.8
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.8
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.8
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.71
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.71
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.7
ISOPARA-ISOPROPYLANILINEA1BMA0.9
ISOPARA-ISOPROPYLANILINEA,B1ELC0.9
ISOPARA-ISOPROPYLANILINEA,B1ELB0.9
ISOPARA-ISOPROPYLANILINEA,B1ELA0.9
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.79
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.75
PBZP-AMINO BENZAMIDINEA,B2BDG0.76
PBZP-AMINO BENZAMIDINEA1RFN0.76
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.76
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.76
PBZP-AMINO BENZAMIDINEA1FIZ0.76
PBZP-AMINO BENZAMIDINEA1FIW0.76
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.76
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.8
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.71
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.71
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.73
34A3,4-DIMETHYLANILINEA1L4K0.9
MGRMALACHITE GREENA,B3BQZ0.75
MGRMALACHITE GREENA1Q8N0.75
MGRMALACHITE GREENA,B3BR00.75
MGRMALACHITE GREENA,D,E3BTL0.75
MGRMALACHITE GREENA,B,D,E3BTC0.75
MGRMALACHITE GREENA,B,D,E1JUP0.75
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.71
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.7
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.7
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.88
XYD2,5-DIMETHYLANILINEA1L4L0.88
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.7
BRNBERENILA,B268D0.75
BRNBERENILA,B1D630.75
BRNBERENILA,D,E2GBY0.75
BRNBERENILA2DBE0.75
BRNBERENILA2GVR0.75
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.78
5NS5-aminonaphthalene-1-sulfonic acidA,B3CFT0.74
CVICRYSTAL VIOLETA,B,D,E1JTX0.75
3NT3-NITROTOLUENEA,B2BMR0.71
3NT3-NITROTOLUENEA,B2HMO0.71
IDMINDOLINEA,B3CEP0.72
IDMINDOLINEA1AEK0.72