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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02357100

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3NT3-NITROTOLUENEA,B2BMR0.74
3NT3-NITROTOLUENEA,B2HMO0.74
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.71
TNL2,4,6-TRINITROTOLUENEA1GVR0.71
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.72
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.72
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.72
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.72
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.77
G1L3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDEA,B2I800.72
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.87
SANSULFANILAMIDEA1AJ00.72
5AN3,5-DIFLUOROANILINEA1LGX0.74
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.73
ANLANILINEA2OV40.78
ANLANILINEA1AEE0.78
ANLANILINEA1PPA0.78
ANLANILINEA1HJ90.78
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.84
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.84
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.84
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.84
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.78
ANCANTHRACEN-1-YLAMINEA,B1GT10.73
ANCANTHRACEN-1-YLAMINEA,B1HN20.73
1MRN-METHYLANILINEX2OTZ0.72
9AP9-AMINOPHENANTHRENEA1EGY0.74
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.73
NYLN-ALLYL-ANILINEA1OVK0.71
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.74
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.7
PEA2-PHENYLETHYLAMINEA1TNJ0.7
PEA2-PHENYLETHYLAMINED,H2HKM0.7
PEA2-PHENYLETHYLAMINEA1UTO0.7
PEA2-PHENYLETHYLAMINEA,B1D6Y0.7
PEA2-PHENYLETHYLAMINEA,B1D6Z0.7
PEA2-PHENYLETHYLAMINEA,B1D6U0.7
PEA2-PHENYLETHYLAMINEA1UTM0.7
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.75
PNZP-NITRO-BENZYLAMINEA,B2C700.75
PHZ1-PHENYLHYDRAZINEA2E2T0.73
PHZ1-PHENYLHYDRAZINED,H2AGL0.73
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.71
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.71
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.71
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.71
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.71
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.76
NBENITROSOBENZENEA1LH70.7
NBENITROSOBENZENEA2LH70.7
NBENITROSOBENZENEA2NSS0.7
PRY2-PROPYL-ANILINEA1OWY0.88
1AN2-FLUOROANILINEA1LGW0.76
3AB3-aminobenzamideA,B,C,D3GOY0.71
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.85
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.82
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.71
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.87
XYD2,5-DIMETHYLANILINEA1L4L0.87
ISOPARA-ISOPROPYLANILINEA1BMA0.87
ISOPARA-ISOPROPYLANILINEA,B1ELC0.87
ISOPARA-ISOPROPYLANILINEA,B1ELB0.87
ISOPARA-ISOPROPYLANILINEA,B1ELA0.87
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.83
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.77
ABNBENZYLAMINED,H2HXC0.72
ABNBENZYLAMINEA,I1A860.72
ABNBENZYLAMINEA1UTN0.72
ABNBENZYLAMINEA1N6X0.72
ABNBENZYLAMINEA2BZA0.72
ABNBENZYLAMINEA2EUS0.72
ABNBENZYLAMINEA1N6Y0.72
ABNBENZYLAMINEA1UTJ0.72
271N-methyl-1-phenylmethanamineX2RBT0.7
34A3,4-DIMETHYLANILINEA1L4K0.87
PBZP-AMINO BENZAMIDINEA,B2BDG0.8
PBZP-AMINO BENZAMIDINEA1RFN0.8
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.8
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.8
PBZP-AMINO BENZAMIDINEA1FIZ0.8
PBZP-AMINO BENZAMIDINEA1FIW0.8
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.8
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.71
BRNBERENILA,B268D0.73
BRNBERENILA,B1D630.73
BRNBERENILA,D,E2GBY0.73
BRNBERENILA2DBE0.73
BRNBERENILA2GVR0.73
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.72
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.72
IDMINDOLINEA,B3CEP0.72
IDMINDOLINEA1AEK0.72