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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03384201

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ISOPARA-ISOPROPYLANILINEA1BMA0.85
ISOPARA-ISOPROPYLANILINEA,B1ELC0.85
ISOPARA-ISOPROPYLANILINEA,B1ELB0.85
ISOPARA-ISOPROPYLANILINEA,B1ELA0.85
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.7
PBZP-AMINO BENZAMIDINEA,B2BDG0.72
PBZP-AMINO BENZAMIDINEA1RFN0.72
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.72
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.72
PBZP-AMINO BENZAMIDINEA1FIZ0.72
PBZP-AMINO BENZAMIDINEA1FIW0.72
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.72
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.78
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.79
NIT4-NITROANILINEC,D1RMH0.71
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.71
NIT4-NITROANILINEB1VBS0.71
NIT4-NITROANILINEC1V9T0.71
NIT4-NITROANILINEC,D1VBT0.71
NIT4-NITROANILINEB1LOP0.71
NIT4-NITROANILINEC,D1ZKF0.71
NIT4-NITROANILINEB1PIP0.71
ANLANILINEA2OV40.7
ANLANILINEA1AEE0.7
ANLANILINEA1PPA0.7
ANLANILINEA1HJ90.7
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.73
BRNBERENILA,B268D0.71
BRNBERENILA,B1D630.71
BRNBERENILA,D,E2GBY0.71
BRNBERENILA2DBE0.71
BRNBERENILA2GVR0.71
NBENITROSOBENZENEA1LH70.79
NBENITROSOBENZENEA2LH70.79
NBENITROSOBENZENEA2NSS0.79
34A3,4-DIMETHYLANILINEA1L4K0.85
2631-(azidomethyl)-3-methylbenzeneX2RB20.7
N2M5-AMINO-NAPHTALENE-2-MONOSULFONATEC,D1HKN0.7
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.71
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.76
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
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.72
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.75
3NT3-NITROTOLUENEA,B2BMR0.82
3NT3-NITROTOLUENEA,B2HMO0.82
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.73
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.7
MGRMALACHITE GREENA,B3BQZ0.74
MGRMALACHITE GREENA1Q8N0.74
MGRMALACHITE GREENA,B3BR00.74
MGRMALACHITE GREENA,D,E3BTL0.74
MGRMALACHITE GREENA,B,D,E3BTC0.74
MGRMALACHITE GREENA,B,D,E1JUP0.74
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.79
PNZP-NITRO-BENZYLAMINEA,B2C700.79
5NS5-aminonaphthalene-1-sulfonic acidA,B3CFT0.7
TNL2,4,6-TRINITROTOLUENEA1GVR0.78
NINDINITROPHENYLENEA1RSM0.71
NINDINITROPHENYLENEA1GVY0.71
NINDINITROPHENYLENEA1GW10.71
NBZNITROBENZENEA,B2BMQ0.74
NBZNITROBENZENEA,B3BGU0.74
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.71
ANCANTHRACEN-1-YLAMINEA,B1GT10.79
ANCANTHRACEN-1-YLAMINEA,B1HN20.79
CVICRYSTAL VIOLETA,B,D,E1JTX0.74
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.76
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.76
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.76
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.76
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.76
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.81
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.77
9AP9-AMINOPHENANTHRENEA1EGY0.8
PRY2-PROPYL-ANILINEA1OWY0.82
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.76
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.79
XYD2,5-DIMETHYLANILINEA1L4L0.79