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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01529803

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
9AP9-AMINOPHENANTHRENEA1EGY0.72
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.78
NHP4-(2-AMINOPHENYLTHIO)-BUTYLPHOSPHONIC ACIDA,B1CX90.72
ANCANTHRACEN-1-YLAMINEA,B1GT10.73
ANCANTHRACEN-1-YLAMINEA,B1HN20.73
ANLANILINEA2OV40.74
ANLANILINEA1AEE0.74
ANLANILINEA1PPA0.74
ANLANILINEA1HJ90.74
PBZP-AMINO BENZAMIDINEA,B2BDG0.74
PBZP-AMINO BENZAMIDINEA1RFN0.74
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.74
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.74
PBZP-AMINO BENZAMIDINEA1FIZ0.74
PBZP-AMINO BENZAMIDINEA1FIW0.74
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.74
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.74
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.77
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.77
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.77
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.77
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.73
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.74
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.74
PRY2-PROPYL-ANILINEA1OWY0.81
SBN2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILEA1JLQ0.72
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.82
XYD2,5-DIMETHYLANILINEA1L4L0.82
1AN2-FLUOROANILINEA1LGW0.71
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.73
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.77
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.76
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.78
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.8
34A3,4-DIMETHYLANILINEA1L4K0.81
3NT3-NITROTOLUENEA,B2BMR0.71
3NT3-NITROTOLUENEA,B2HMO0.71
5BM(2Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrileA3EQH0.73
ISOPARA-ISOPROPYLANILINEA1BMA0.79
ISOPARA-ISOPROPYLANILINEA,B1ELC0.79
ISOPARA-ISOPROPYLANILINEA,B1ELB0.79
ISOPARA-ISOPROPYLANILINEA,B1ELA0.79