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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02207813

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.71
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.72
TNL2,4,6-TRINITROTOLUENEA1GVR0.81
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.7
PBZP-AMINO BENZAMIDINEA,B2BDG0.77
PBZP-AMINO BENZAMIDINEA1RFN0.77
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.77
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.77
PBZP-AMINO BENZAMIDINEA1FIZ0.77
PBZP-AMINO BENZAMIDINEA1FIW0.77
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.77
1AN2-FLUOROANILINEA1LGW0.7
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.73
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.8
2631-(azidomethyl)-3-methylbenzeneX2RB20.74
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.72
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.77
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.8
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.7
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.74
NINDINITROPHENYLENEA1RSM0.73
NINDINITROPHENYLENEA1GVY0.73
NINDINITROPHENYLENEA1GW10.73
ANCANTHRACEN-1-YLAMINEA,B1GT10.74
ANCANTHRACEN-1-YLAMINEA,B1HN20.74
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.71
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.7
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.7
9AP9-AMINOPHENANTHRENEA1EGY0.75
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.72
ANLANILINEA2OV40.73
ANLANILINEA1AEE0.73
ANLANILINEA1PPA0.73
ANLANILINEA1HJ90.73
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.79
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.71
34A3,4-DIMETHYLANILINEA1L4K0.82
BRNBERENILA,B268D0.77
BRNBERENILA,B1D630.77
BRNBERENILA,D,E2GBY0.77
BRNBERENILA2DBE0.77
BRNBERENILA2GVR0.77
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.74
3NT3-NITROTOLUENEA,B2BMR0.83
3NT3-NITROTOLUENEA,B2HMO0.83
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.82
XYD2,5-DIMETHYLANILINEA1L4L0.82
NBZNITROBENZENEA,B2BMQ0.75
NBZNITROBENZENEA,B3BGU0.75
ISOPARA-ISOPROPYLANILINEA1BMA0.82
ISOPARA-ISOPROPYLANILINEA,B1ELC0.82
ISOPARA-ISOPROPYLANILINEA,B1ELB0.82
ISOPARA-ISOPROPYLANILINEA,B1ELA0.82
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.74
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
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.7
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.82
PNZP-NITRO-BENZYLAMINEA,B2C700.82
NBENITROSOBENZENEA1LH70.75
NBENITROSOBENZENEA2LH70.75
NBENITROSOBENZENEA2NSS0.75
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.79
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.8
PRY2-PROPYL-ANILINEA1OWY0.83
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.79
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.79
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.79
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.79
CVICRYSTAL VIOLETA,B,D,E1JTX0.75
NIT4-NITROANILINEC,D1RMH0.73
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.73
NIT4-NITROANILINEB1VBS0.73
NIT4-NITROANILINEC1V9T0.73
NIT4-NITROANILINEC,D1VBT0.73
NIT4-NITROANILINEB1LOP0.73
NIT4-NITROANILINEC,D1ZKF0.73
NIT4-NITROANILINEB1PIP0.73
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.74