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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02409696

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.73
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.73
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.73
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.73
PPNPARA-NITROPHENYLALANINEI1YTJ0.71
3NT3-NITROTOLUENEA,B2BMR0.84
3NT3-NITROTOLUENEA,B2HMO0.84
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.77
NBENITROSOBENZENEA1LH70.71
NBENITROSOBENZENEA2LH70.71
NBENITROSOBENZENEA2NSS0.71
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.72
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.76
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.78
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.75
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.75
NID4-NITRO-INDEN-1-ONEA,B1DOH0.72
9AP9-AMINOPHENANTHRENEA1EGY0.78
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.72
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.7
TNL2,4,6-TRINITROTOLUENEA1GVR0.8
NIT4-NITROANILINEC,D1RMH0.82
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.82
NIT4-NITROANILINEB1VBS0.82
NIT4-NITROANILINEC1V9T0.82
NIT4-NITROANILINEC,D1VBT0.82
NIT4-NITROANILINEB1LOP0.82
NIT4-NITROANILINEC,D1ZKF0.82
NIT4-NITROANILINEB1PIP0.82
N2M5-AMINO-NAPHTALENE-2-MONOSULFONATEC,D1HKN0.72
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.76
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
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.85
PNZP-NITRO-BENZYLAMINEA,B2C700.85
NINDINITROPHENYLENEA1RSM0.74
NINDINITROPHENYLENEA1GVY0.74
NINDINITROPHENYLENEA1GW10.74
HNT[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-
3-YL]METHANOL
A,B2G700.71
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.77
PBZP-AMINO BENZAMIDINEA,B2BDG0.71
PBZP-AMINO BENZAMIDINEA1RFN0.71
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.71
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.71
PBZP-AMINO BENZAMIDINEA1FIZ0.71
PBZP-AMINO BENZAMIDINEA1FIW0.71
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.71
HFTHYDROXYFLUTAMIDEA2AX60.71
BRNBERENILA,B268D0.7
BRNBERENILA,B1D630.7
BRNBERENILA,D,E2GBY0.7
BRNBERENILA2DBE0.7
BRNBERENILA2GVR0.7
5NS5-aminonaphthalene-1-sulfonic acidA,B3CFT0.72
ANCANTHRACEN-1-YLAMINEA,B1GT10.79
ANCANTHRACEN-1-YLAMINEA,B1HN20.79
34A3,4-DIMETHYLANILINEA1L4K0.79
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.75
NBZNITROBENZENEA,B2BMQ0.77
NBZNITROBENZENEA,B3BGU0.77
PRY2-PROPYL-ANILINEA1OWY0.8
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.72
ISOPARA-ISOPROPYLANILINEA1BMA0.79
ISOPARA-ISOPROPYLANILINEA,B1ELC0.79
ISOPARA-ISOPROPYLANILINEA,B1ELB0.79
ISOPARA-ISOPROPYLANILINEA,B1ELA0.79
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.79
XYD2,5-DIMETHYLANILINEA1L4L0.79