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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03137500

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
3AB3-aminobenzamideA,B,C,D3GOY0.72
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.7
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.77
3NT3-NITROTOLUENEA,B2BMR0.85
3NT3-NITROTOLUENEA,B2HMO0.85
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.84
XYD2,5-DIMETHYLANILINEA1L4L0.84
1AN2-FLUOROANILINEA1LGW0.7
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.73
TNL2,4,6-TRINITROTOLUENEA1GVR0.79
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.8
2631-(azidomethyl)-3-methylbenzeneX2RB20.74
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.75
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.7
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.73
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.74
NINDINITROPHENYLENEA1RSM0.73
NINDINITROPHENYLENEA1GVY0.73
NINDINITROPHENYLENEA1GW10.73
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.71
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
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
ANLANILINEA2OV40.73
ANLANILINEA1AEE0.73
ANLANILINEA1PPA0.73
ANLANILINEA1HJ90.73
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.78
ISOPARA-ISOPROPYLANILINEA1BMA0.8
ISOPARA-ISOPROPYLANILINEA,B1ELC0.8
ISOPARA-ISOPROPYLANILINEA,B1ELB0.8
ISOPARA-ISOPROPYLANILINEA,B1ELA0.8
34A3,4-DIMETHYLANILINEA1L4K0.82
ANCANTHRACEN-1-YLAMINEA,B1GT10.76
ANCANTHRACEN-1-YLAMINEA,B1HN20.76
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.74
MGRMALACHITE GREENA,B3BQZ0.73
MGRMALACHITE GREENA1Q8N0.73
MGRMALACHITE GREENA,B3BR00.73
MGRMALACHITE GREENA,D,E3BTL0.73
MGRMALACHITE GREENA,B,D,E3BTC0.73
MGRMALACHITE GREENA,B,D,E1JUP0.73
NBZNITROBENZENEA,B2BMQ0.75
NBZNITROBENZENEA,B3BGU0.75
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.74
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.71
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.7
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.82
NBENITROSOBENZENEA1LH70.75
NBENITROSOBENZENEA2LH70.75
NBENITROSOBENZENEA2NSS0.75
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.79
BRNBERENILA,B268D0.75
BRNBERENILA,B1D630.75
BRNBERENILA,D,E2GBY0.75
BRNBERENILA2DBE0.75
BRNBERENILA2GVR0.75
PRY2-PROPYL-ANILINEA1OWY0.83
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.71
CVICRYSTAL VIOLETA,B,D,E1JTX0.73
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
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.8
PNZP-NITRO-BENZYLAMINEA,B2C700.8
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.74