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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02472762

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.7
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.7
2631-(azidomethyl)-3-methylbenzeneX2RB20.75
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.76
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.83
PRY2-PROPYL-ANILINEA1OWY0.86
ANCANTHRACEN-1-YLAMINEA,B1GT10.78
ANCANTHRACEN-1-YLAMINEA,B1HN20.78
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.72
DR15-METHYL-5H-INDOLO[3,2-B]QUINOLINEA1K9G0.71
PHZ1-PHENYLHYDRAZINEA2E2T0.7
PHZ1-PHENYLHYDRAZINED,H2AGL0.7
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.73
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.73
9AP9-AMINOPHENANTHRENEA1EGY0.78
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.74
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.78
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.78
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.78
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.78
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.76
ANLANILINEA2OV40.74
ANLANILINEA1AEE0.74
ANLANILINEA1PPA0.74
ANLANILINEA1HJ90.74
3NT3-NITROTOLUENEA,B2BMR0.78
3NT3-NITROTOLUENEA,B2HMO0.78
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.73
PNZP-NITRO-BENZYLAMINEA,B2C700.73
34A3,4-DIMETHYLANILINEA1L4K0.83
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
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.76
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.71
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.8
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.71
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
NBENITROSOBENZENEA1LH70.72
NBENITROSOBENZENEA2LH70.72
NBENITROSOBENZENEA2NSS0.72
BRNBERENILA,B268D0.78
BRNBERENILA,B1D630.78
BRNBERENILA,D,E2GBY0.78
BRNBERENILA2DBE0.78
BRNBERENILA2GVR0.78
1AN2-FLUOROANILINEA1LGW0.71
3AB3-aminobenzamideA,B,C,D3GOY0.71
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.77
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.87
XYD2,5-DIMETHYLANILINEA1L4L0.87
CVICRYSTAL VIOLETA,B,D,E1JTX0.74
ISOPARA-ISOPROPYLANILINEA1BMA0.81
ISOPARA-ISOPROPYLANILINEA,B1ELC0.81
ISOPARA-ISOPROPYLANILINEA,B1ELB0.81
ISOPARA-ISOPROPYLANILINEA,B1ELA0.81
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.75
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.83
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.71
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.72
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.7
TNL2,4,6-TRINITROTOLUENEA1GVR0.74
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.76