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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03523767

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.85
XYD2,5-DIMETHYLANILINEA1L4L0.85
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.71
ISOPARA-ISOPROPYLANILINEA1BMA0.85
ISOPARA-ISOPROPYLANILINEA,B1ELC0.85
ISOPARA-ISOPROPYLANILINEA,B1ELB0.85
ISOPARA-ISOPROPYLANILINEA,B1ELA0.85
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.7
FBA4-FLUOROBENZYLAMINEA1TNH0.7
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.83
PRY2-PROPYL-ANILINEA1OWY0.86
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
TNL2,4,6-TRINITROTOLUENEA1GVR0.76
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.74
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.72
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.72
B2FPHENYLALANINE BORONIC ACIDA,P1P060.72
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.72
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.72
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.77
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.71
SBN2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILEA1JLQ0.71
ANCANTHRACEN-1-YLAMINEA,B1GT10.72
ANCANTHRACEN-1-YLAMINEA,B1HN20.72
I7C4-AMINO-6-(TRIFLUOROMETHYL)BENZENE-
1,3-DISULFONAMIDE
A2POW0.72
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.75
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.75
34A3,4-DIMETHYLANILINEA1L4K0.85
1MRN-METHYLANILINEX2OTZ0.72
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.79
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.75
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.71
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.73
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.73
1AN2-FLUOROANILINEA1LGW0.74
N2M5-AMINO-NAPHTALENE-2-MONOSULFONATEC,D1HKN0.7
NYLN-ALLYL-ANILINEA1OVK0.71
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.75
3AB3-aminobenzamideA,B,C,D3GOY0.73
5AN3,5-DIFLUOROANILINEA1LGX0.72
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
PHZ1-PHENYLHYDRAZINEA2E2T0.75
PHZ1-PHENYLHYDRAZINED,H2AGL0.75
NBZNITROBENZENEA,B2BMQ0.71
NBZNITROBENZENEA,B3BGU0.71
271N-methyl-1-phenylmethanamineX2RBT0.71
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.73
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.73
9AP9-AMINOPHENANTHRENEA1EGY0.73
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.85
2631-(azidomethyl)-3-methylbenzeneX2RB20.72
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.7
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.7
3NT3-NITROTOLUENEA,B2BMR0.78
3NT3-NITROTOLUENEA,B2HMO0.78
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.79
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.71
5NS5-aminonaphthalene-1-sulfonic acidA,B3CFT0.7
NR2N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-
4-METHYLBENZENESULFONAMIDE
A1ZFK0.7
SANSULFANILAMIDEA1AJ00.76
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.91
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.83
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.82
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.82
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.82
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.82
ANLANILINEA2OV40.76
ANLANILINEA1AEE0.76
ANLANILINEA1PPA0.76
ANLANILINEA1HJ90.76
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.72
NBENITROSOBENZENEA1LH70.73
NBENITROSOBENZENEA2LH70.73
NBENITROSOBENZENEA2NSS0.73
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.71
BZZBENZYLHYDRAZINEA,B2E2V0.71
264(phenylamino)acetonitrileA2RBN0.7
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.83
PNZP-NITRO-BENZYLAMINEA,B2C700.83
NIT4-NITROANILINEC,D1RMH0.74
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.74
NIT4-NITROANILINEB1VBS0.74
NIT4-NITROANILINEC1V9T0.74
NIT4-NITROANILINEC,D1VBT0.74
NIT4-NITROANILINEB1LOP0.74
NIT4-NITROANILINEC,D1ZKF0.74
NIT4-NITROANILINEB1PIP0.74
ABNBENZYLAMINED,H2HXC0.72
ABNBENZYLAMINEA,I1A860.72
ABNBENZYLAMINEA1UTN0.72
ABNBENZYLAMINEA1N6X0.72
ABNBENZYLAMINEA2BZA0.72
ABNBENZYLAMINEA2EUS0.72
ABNBENZYLAMINEA1N6Y0.72
ABNBENZYLAMINEA1UTJ0.72
AAS3-ACTOXYMERCURI-4-AMINOBENZENESULFONAMIDEA1CZM0.72
BRNBERENILA,B268D0.75
BRNBERENILA,B1D630.75
BRNBERENILA,D,E2GBY0.75
BRNBERENILA2DBE0.75
BRNBERENILA2GVR0.75
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
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.72
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.72
IDMINDOLINEA,B3CEP0.72
IDMINDOLINEA1AEK0.72