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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02351497

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.71
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.84
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.7
FBA4-FLUOROBENZYLAMINEA1TNH0.7
BRNBERENILA,B268D0.79
BRNBERENILA,B1D630.79
BRNBERENILA,D,E2GBY0.79
BRNBERENILA2DBE0.79
BRNBERENILA2GVR0.79
3AB3-aminobenzamideA,B,C,D3GOY0.72
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.85
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.85
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.85
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.85
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
NBENITROSOBENZENEA1LH70.71
NBENITROSOBENZENEA2LH70.71
NBENITROSOBENZENEA2NSS0.71
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.73
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.72
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.78
5AN3,5-DIFLUOROANILINEA1LGX0.74
3NT3-NITROTOLUENEA,B2BMR0.73
3NT3-NITROTOLUENEA,B2HMO0.73
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.7
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.7
B2FPHENYLALANINE BORONIC ACIDA,P1P060.7
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.7
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.7
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.72
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.73
PEA2-PHENYLETHYLAMINEA1TNJ0.73
PEA2-PHENYLETHYLAMINED,H2HKM0.73
PEA2-PHENYLETHYLAMINEA1UTO0.73
PEA2-PHENYLETHYLAMINEA,B1D6Y0.73
PEA2-PHENYLETHYLAMINEA,B1D6Z0.73
PEA2-PHENYLETHYLAMINEA,B1D6U0.73
PEA2-PHENYLETHYLAMINEA1UTM0.73
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.74
9AP9-AMINOPHENANTHRENEA1EGY0.84
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.74
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.74
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.84
2631-(azidomethyl)-3-methylbenzeneX2RB20.7
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.71
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.86
XYD2,5-DIMETHYLANILINEA1L4L0.86
BSU1,3-DIPHENYLUREAA3E850.71
BSU1,3-DIPHENYLUREAA2ZJF0.71
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.78
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.74
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.74
PRY2-PROPYL-ANILINEA1OWY0.89
NYLN-ALLYL-ANILINEA1OVK0.71
N2M5-AMINO-NAPHTALENE-2-MONOSULFONATEC,D1HKN0.72
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.72
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.76
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.74
PHZ1-PHENYLHYDRAZINEA2E2T0.73
PHZ1-PHENYLHYDRAZINED,H2AGL0.73
ISOPARA-ISOPROPYLANILINEA1BMA0.91
ISOPARA-ISOPROPYLANILINEA,B1ELC0.91
ISOPARA-ISOPROPYLANILINEA,B1ELB0.91
ISOPARA-ISOPROPYLANILINEA,B1ELA0.91
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.74
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.74
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.71
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.7
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.71
ABNBENZYLAMINED,H2HXC0.73
ABNBENZYLAMINEA,I1A860.73
ABNBENZYLAMINEA1UTN0.73
ABNBENZYLAMINEA1N6X0.73
ABNBENZYLAMINEA2BZA0.73
ABNBENZYLAMINEA2EUS0.73
ABNBENZYLAMINEA1N6Y0.73
ABNBENZYLAMINEA1UTJ0.73
ANLANILINEA2OV40.79
ANLANILINEA1AEE0.79
ANLANILINEA1PPA0.79
ANLANILINEA1HJ90.79
2UN{4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)-
3-OXOPROPYL]PHENYL}SULFAMIC ACID
A,B2H020.71
5BM(2Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrileA3EQH0.72
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.7
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.84
DR15-METHYL-5H-INDOLO[3,2-B]QUINOLINEA1K9G0.7
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.83
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.76
PNZP-NITRO-BENZYLAMINEA,B2C700.76
1AN2-FLUOROANILINEA1LGW0.76
5NS5-aminonaphthalene-1-sulfonic acidA,B3CFT0.72
PRA3-PHENYLPROPYLAMINEA1TNK0.72
PRA3-PHENYLPROPYLAMINEM1UTL0.72
PBN4-PHENYLBUTYLAMINEA1TNI0.72
PBN4-PHENYLBUTYLAMINEA1UTP0.72
CVICRYSTAL VIOLETA,B,D,E1JTX0.78
IDMINDOLINEA,B3CEP0.74
IDMINDOLINEA1AEK0.74
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.79
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.79
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.78
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.77
MGRMALACHITE GREENA,B3BQZ0.78
MGRMALACHITE GREENA1Q8N0.78
MGRMALACHITE GREENA,B3BR00.78
MGRMALACHITE GREENA,D,E3BTL0.78
MGRMALACHITE GREENA,B,D,E3BTC0.78
MGRMALACHITE GREENA,B,D,E1JUP0.78
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
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.72
ANCANTHRACEN-1-YLAMINEA,B1GT10.83
ANCANTHRACEN-1-YLAMINEA,B1HN20.83
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.72
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.72
1MRN-METHYLANILINEX2OTZ0.71
34A3,4-DIMETHYLANILINEA1L4K0.88
SOAISATOIC ANHYDRIDEA1BIO0.7
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.84