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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02890913

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.72
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.72
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.7
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
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.7
1AN2-FLUOROANILINEA1LGW0.7
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.8
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.75
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.78
CVICRYSTAL VIOLETA,B,D,E1JTX0.76
3NT3-NITROTOLUENEA,B2BMR0.77
3NT3-NITROTOLUENEA,B2HMO0.77
IDMINDOLINEA,B3CEP0.71
IDMINDOLINEA1AEK0.71
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.75
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.74
PNZP-NITRO-BENZYLAMINEA,B2C700.74
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.7
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.74
PRY2-PROPYL-ANILINEA1OWY0.85
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.71
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.71
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.75
34A3,4-DIMETHYLANILINEA1L4K0.86
ANCANTHRACEN-1-YLAMINEA,B1GT10.74
ANCANTHRACEN-1-YLAMINEA,B1HN20.74
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.73
2631-(azidomethyl)-3-methylbenzeneX2RB20.72
MGRMALACHITE GREENA,B3BQZ0.76
MGRMALACHITE GREENA1Q8N0.76
MGRMALACHITE GREENA,B3BR00.76
MGRMALACHITE GREENA,D,E3BTL0.76
MGRMALACHITE GREENA,B,D,E3BTC0.76
MGRMALACHITE GREENA,B,D,E1JUP0.76
9AP9-AMINOPHENANTHRENEA1EGY0.75
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.72
ISOPARA-ISOPROPYLANILINEA1BMA0.91
ISOPARA-ISOPROPYLANILINEA,B1ELC0.91
ISOPARA-ISOPROPYLANILINEA,B1ELB0.91
ISOPARA-ISOPROPYLANILINEA,B1ELA0.91
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.82
ANLANILINEA2OV40.73
ANLANILINEA1AEE0.73
ANLANILINEA1PPA0.73
ANLANILINEA1HJ90.73
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.74
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.82
XYD2,5-DIMETHYLANILINEA1L4L0.82
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.75
BRNBERENILA,B268D0.7
BRNBERENILA,B1D630.7
BRNBERENILA,D,E2GBY0.7
BRNBERENILA2DBE0.7
BRNBERENILA2GVR0.7
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.72
NBENITROSOBENZENEA1LH70.73
NBENITROSOBENZENEA2LH70.73
NBENITROSOBENZENEA2NSS0.73
DPKDEPRENYLA,B2BYB0.7
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.81
TNL2,4,6-TRINITROTOLUENEA1GVR0.73
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.72
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.79
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.79
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.79
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.79
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.7
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.7