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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00006993

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PRY2-PROPYL-ANILINEA1OWY0.86
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.77
PNZP-NITRO-BENZYLAMINEA,B2C700.77
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.7
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.78
34A3,4-DIMETHYLANILINEA1L4K0.85
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.72
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.72
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.75
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.74
9AP9-AMINOPHENANTHRENEA1EGY0.74
IDMINDOLINEA,B3CEP0.71
IDMINDOLINEA1AEK0.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.86
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.86
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.86
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.86
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.89
5AN3,5-DIFLUOROANILINEA1LGX0.77
ANCANTHRACEN-1-YLAMINEA,B1GT10.74
ANCANTHRACEN-1-YLAMINEA,B1HN20.74
3NT3-NITROTOLUENEA,B2BMR0.78
3NT3-NITROTOLUENEA,B2HMO0.78
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.7
SOAISATOIC ANHYDRIDEA1BIO0.71
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.78
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.71
FBA4-FLUOROBENZYLAMINEA1TNH0.71
1AN2-FLUOROANILINEA1LGW0.79
ABNBENZYLAMINED,H2HXC0.73
ABNBENZYLAMINEA,I1A860.73
ABNBENZYLAMINEA1UTN0.73
ABNBENZYLAMINEA1N6X0.73
ABNBENZYLAMINEA2BZA0.73
ABNBENZYLAMINEA2EUS0.73
ABNBENZYLAMINEA1N6Y0.73
ABNBENZYLAMINEA1UTJ0.73
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.71
5BM(2Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrileA3EQH0.72
BRNBERENILA,B268D0.72
BRNBERENILA,B1D630.72
BRNBERENILA,D,E2GBY0.72
BRNBERENILA2DBE0.72
BRNBERENILA2GVR0.72
264(phenylamino)acetonitrileA2RBN0.73
SBN2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILEA1JLQ0.72
PHZ1-PHENYLHYDRAZINEA2E2T0.76
PHZ1-PHENYLHYDRAZINED,H2AGL0.76
TNL2,4,6-TRINITROTOLUENEA1GVR0.72
3AB3-aminobenzamideA,B,C,D3GOY0.76
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.85
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.82
ISOPARA-ISOPROPYLANILINEA1BMA0.83
ISOPARA-ISOPROPYLANILINEA,B1ELC0.83
ISOPARA-ISOPROPYLANILINEA,B1ELB0.83
ISOPARA-ISOPROPYLANILINEA,B1ELA0.83
PBZP-AMINO BENZAMIDINEA,B2BDG0.81
PBZP-AMINO BENZAMIDINEA1RFN0.81
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.81
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.81
PBZP-AMINO BENZAMIDINEA1FIZ0.81
PBZP-AMINO BENZAMIDINEA1FIW0.81
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.81
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.87
XYD2,5-DIMETHYLANILINEA1L4L0.87
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.73
ANLANILINEA2OV40.82
ANLANILINEA1AEE0.82
ANLANILINEA1PPA0.82
ANLANILINEA1HJ90.82
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.78
NBENITROSOBENZENEA1LH70.74
NBENITROSOBENZENEA2LH70.74
NBENITROSOBENZENEA2NSS0.74
NIT4-NITROANILINEC,D1RMH0.73
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.73
NIT4-NITROANILINEB1VBS0.73
NIT4-NITROANILINEC1V9T0.73
NIT4-NITROANILINEC,D1VBT0.73
NIT4-NITROANILINEB1LOP0.73
NIT4-NITROANILINEC,D1ZKF0.73
NIT4-NITROANILINEB1PIP0.73
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.71
1MRN-METHYLANILINEX2OTZ0.71