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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00480405

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
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.72
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.72
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.72
PRY2-PROPYL-ANILINEA1OWY0.86
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.7
NBENITROSOBENZENEA1LH70.71
NBENITROSOBENZENEA2LH70.71
NBENITROSOBENZENEA2NSS0.71
1AN2-FLUOROANILINEA1LGW0.72
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.77
ISOPARA-ISOPROPYLANILINEA1BMA0.84
ISOPARA-ISOPROPYLANILINEA,B1ELC0.84
ISOPARA-ISOPROPYLANILINEA,B1ELB0.84
ISOPARA-ISOPROPYLANILINEA,B1ELA0.84
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.73
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.73
1MRN-METHYLANILINEX2OTZ0.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.73
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.75
PEA2-PHENYLETHYLAMINEA1TNJ0.75
PEA2-PHENYLETHYLAMINED,H2HKM0.75
PEA2-PHENYLETHYLAMINEA1UTO0.75
PEA2-PHENYLETHYLAMINEA,B1D6Y0.75
PEA2-PHENYLETHYLAMINEA,B1D6Z0.75
PEA2-PHENYLETHYLAMINEA,B1D6U0.75
PEA2-PHENYLETHYLAMINEA1UTM0.75
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.78
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.78
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.78
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.78
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.72
FBA4-FLUOROBENZYLAMINEA1TNH0.72
IDMINDOLINEA,B3CEP0.76
IDMINDOLINEA1AEK0.76
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.75
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.75
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.78
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.78
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.78
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.78
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.77
5AN3,5-DIFLUOROANILINEA1LGX0.7
3AB3-aminobenzamideA,B,C,D3GOY0.73
ANLANILINEA2OV40.75
ANLANILINEA1AEE0.75
ANLANILINEA1PPA0.75
ANLANILINEA1HJ90.75
34A3,4-DIMETHYLANILINEA1L4K0.86
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.83
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.75
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.75
ANCANTHRACEN-1-YLAMINEA,B1GT10.74
ANCANTHRACEN-1-YLAMINEA,B1HN20.74
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.75
NBZNITROBENZENEA,B2BMQ0.71
NBZNITROBENZENEA,B3BGU0.71
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.72
9AP9-AMINOPHENANTHRENEA1EGY0.73
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.74
2631-(azidomethyl)-3-methylbenzeneX2RB20.72
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.85
PNZP-NITRO-BENZYLAMINEA,B2C700.85
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.78
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.71
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.71
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.71
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.81
IPOPARA-IODO-D-PHENYLALANINE HYDROXAMIC ACIDA1IGB0.71
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.71
NYLN-ALLYL-ANILINEA1OVK0.73
ABNBENZYLAMINED,H2HXC0.75
ABNBENZYLAMINEA,I1A860.75
ABNBENZYLAMINEA1UTN0.75
ABNBENZYLAMINEA1N6X0.75
ABNBENZYLAMINEA2BZA0.75
ABNBENZYLAMINEA2EUS0.75
ABNBENZYLAMINEA1N6Y0.75
ABNBENZYLAMINEA1UTJ0.75
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.73
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.83
PHZ1-PHENYLHYDRAZINEA2E2T0.71
PHZ1-PHENYLHYDRAZINED,H2AGL0.71
PBZP-AMINO BENZAMIDINEA,B2BDG0.76
PBZP-AMINO BENZAMIDINEA1RFN0.76
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.76
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.76
PBZP-AMINO BENZAMIDINEA1FIZ0.76
PBZP-AMINO BENZAMIDINEA1FIW0.76
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.76
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.76
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.76
B2FPHENYLALANINE BORONIC ACIDA,P1P060.76
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.76
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.76
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.73
BRNBERENILA,B268D0.7
BRNBERENILA,B1D630.7
BRNBERENILA,D,E2GBY0.7
BRNBERENILA2DBE0.7
BRNBERENILA2GVR0.7
271N-methyl-1-phenylmethanamineX2RBT0.73
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.72
TNL2,4,6-TRINITROTOLUENEA1GVR0.75
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.71
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.78
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.78
BZZBENZYLHYDRAZINEA,B2E2V0.71
PHMPHENYLALANYLMETHANEA,I1PJP0.7
PHMPHENYLALANYLMETHANEA,B,C2J9J0.7
PHMPHENYLALANYLMETHANEA,B,C2JE40.7
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.7
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.7
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.77
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
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.9
3NT3-NITROTOLUENEA,B2BMR0.81
3NT3-NITROTOLUENEA,B2HMO0.81
PRA3-PHENYLPROPYLAMINEA1TNK0.74
PRA3-PHENYLPROPYLAMINEM1UTL0.74
264(phenylamino)acetonitrileA2RBN0.72
PBN4-PHENYLBUTYLAMINEA1TNI0.74
PBN4-PHENYLBUTYLAMINEA1UTP0.74
HNT[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-
3-YL]METHANOL
A,B2G700.7
PPNPARA-NITROPHENYLALANINEI1YTJ0.74
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.71
SOAISATOIC ANHYDRIDEA1BIO0.7
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.71