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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00019997

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BENBENZAMIDINEA2TIO0.7
BENBENZAMIDINEA1J150.7
BENBENZAMIDINEA,B3BEU0.7
BENBENZAMIDINET1V2U0.7
BENBENZAMIDINEA,B,C,D,E,F3CF80.7
BENBENZAMIDINEA1S0R0.7
BENBENZAMIDINEA,B1V160.7
BENBENZAMIDINEA1CC70.7
BENBENZAMIDINEA3BG80.7
BENBENZAMIDINEA1CC80.7
BENBENZAMIDINEA3PTB0.7
BENBENZAMIDINEA,B1TRM0.7
BENBENZAMIDINEA1ZHR0.7
BENBENZAMIDINEA,B,C,D,E,F1NKZ0.7
BENBENZAMIDINEA2BLV0.7
BENBENZAMIDINEA,B,C,D,E,F2GLP0.7
BENBENZAMIDINEH,I3D490.7
BENBENZAMIDINEH,L,T2AER0.7
BENBENZAMIDINEA1J140.7
BENBENZAMIDINEA1NSA0.7
BENBENZAMIDINEA2AYW0.7
BENBENZAMIDINEA1BRA0.7
BENBENZAMIDINEA,B,C,D1A0J0.7
BENBENZAMIDINEB,C,D2AST0.7
BENBENZAMIDINEA,B2CKR0.7
BENBENZAMIDINEA1LPU0.7
BENBENZAMIDINEA1ZHM0.7
BENBENZAMIDINEA1J8A0.7
BENBENZAMIDINEA,B3BCX0.7
BENBENZAMIDINEA,B,C,D,E,F3CF90.7
BENBENZAMIDINEA,B,C,D,E,F3D040.7
BENBENZAMIDINEA,B,C,D,E,F2GLL0.7
BENBENZAMIDINEA1AND0.7
BENBENZAMIDINEA2TBS0.7
BENBENZAMIDINEA,B,C,D,E,F3DP20.7
BENBENZAMIDINET1V2M0.7
BENBENZAMIDINEA2EEK0.7
BENBENZAMIDINEH,I2ZI20.7
BENBENZAMIDINET1V2J0.7
BENBENZAMIDINEH1KLI0.7
BENBENZAMIDINEA1CE50.7
BENBENZAMIDINEA,B,C,D,E,F3B7J0.7
BENBENZAMIDINEB,Y2PKA0.7
BENBENZAMIDINEA2VJ00.7
BENBENZAMIDINEA3B3J0.7
BENBENZAMIDINEA,B,C,D,E,F3DOY0.7
BENBENZAMIDINEA,B,C,D,E,F3DP30.7
BENBENZAMIDINEA,B,C,D,E,F2GLM0.7
BENBENZAMIDINEA1ANB0.7
BENBENZAMIDINEA1LO60.7
BENBENZAMIDINEA1LR40.7
BENBENZAMIDINEA,B1V1M0.7
BENBENZAMIDINEA1ZHP0.7
BENBENZAMIDINEA2J9N0.7
BENBENZAMIDINEA2BMV0.7
BENBENZAMIDINEA,B2CKS0.7
BENBENZAMIDINEA2BLW0.7
BENBENZAMIDINEA1J160.7
BENBENZAMIDINEA,B1V110.7
BENBENZAMIDINEA,B,C,D,E,F3DP00.7
BENBENZAMIDINEB1RTF0.7
BENBENZAMIDINEA,B,C,D,E,F3DP10.7
BENBENZAMIDINEA,B,C,D2E580.7
BENBENZAMIDINEA2TRM0.7
BENBENZAMIDINET1V2V0.7
BENBENZAMIDINEA1MBQ0.7
BENBENZAMIDINEA,B,C,D,E,F3DOZ0.7
BENBENZAMIDINEA2O8U0.7
BENBENZAMIDINEH1DWB0.7
BENBENZAMIDINEB,C2ASS0.7
BENBENZAMIDINEA1ANE0.7
BENBENZAMIDINEH,I2ZIQ0.7
BENBENZAMIDINEA1BIT0.7
BENBENZAMIDINEA2AIQ0.7
BENBENZAMIDINEA2OQ50.7
BENBENZAMIDINEA1ANC0.7
BENBENZAMIDINEH1JBU0.7
BENBENZAMIDINEA,B2BPQ0.7
BENBENZAMIDINEA,B,C,D2GNN0.7
BENBENZAMIDINET1V2S0.7
BENBENZAMIDINEA1H4W0.7
BENBENZAMIDINEA1OSS0.7
BENBENZAMIDINEA1W800.7
BENBENZAMIDINEA1BTY0.7
BENBENZAMIDINEH,I2ZFQ0.7
BENBENZAMIDINEA1EAX0.7
BENBENZAMIDINEA1L2E0.7
BENBENZAMIDINEA1WRI0.7
BENBENZAMIDINEA,B3BB80.7
BENBENZAMIDINEA2OXS0.7
BENBENZAMIDINEA1DPO0.7
BENBENZAMIDINET1V2L0.7
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.89
XYD2,5-DIMETHYLANILINEA1L4L0.89
ISOPARA-ISOPROPYLANILINEA1BMA0.89
ISOPARA-ISOPROPYLANILINEA,B1ELC0.89
ISOPARA-ISOPROPYLANILINEA,B1ELB0.89
ISOPARA-ISOPROPYLANILINEA,B1ELA0.89
N2M5-AMINO-NAPHTALENE-2-MONOSULFONATEC,D1HKN0.75
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.77
PNZP-NITRO-BENZYLAMINEA,B2C700.77
1AN2-FLUOROANILINEA1LGW0.77
5AN3,5-DIFLUOROANILINEA1LGX0.75
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.72
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.72
2631-(azidomethyl)-3-methylbenzeneX2RB20.73
ANCANTHRACEN-1-YLAMINEA,B1GT10.86
ANCANTHRACEN-1-YLAMINEA,B1HN20.86
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.74
PEA2-PHENYLETHYLAMINEA1TNJ0.74
PEA2-PHENYLETHYLAMINED,H2HKM0.74
PEA2-PHENYLETHYLAMINEA1UTO0.74
PEA2-PHENYLETHYLAMINEA,B1D6Y0.74
PEA2-PHENYLETHYLAMINEA,B1D6Z0.74
PEA2-PHENYLETHYLAMINEA,B1D6U0.74
PEA2-PHENYLETHYLAMINEA1UTM0.74
DR15-METHYL-5H-INDOLO[3,2-B]QUINOLINEA1K9G0.71
5BM(2Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrileA3EQH0.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.84
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.84
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.84
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.84
34A3,4-DIMETHYLANILINEA1L4K0.89
1MRN-METHYLANILINEX2OTZ0.72
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.74
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.73
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.79
BZZBENZYLHYDRAZINEA,B2E2V0.7
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.86
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.76
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.73
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.89
9AP9-AMINOPHENANTHRENEA1EGY0.85
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.73
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.73
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.73
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.73
UN6(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-
METHYL}-PHENYL)-SULFAMIC ACID
A2F700.7
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.73
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.78
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.78
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.72
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.82
BRNBERENILA,B268D0.8
BRNBERENILA,B1D630.8
BRNBERENILA,D,E2GBY0.8
BRNBERENILA2DBE0.8
BRNBERENILA2GVR0.8
SOAISATOIC ANHYDRIDEA1BIO0.71
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.71
FBA4-FLUOROBENZYLAMINEA1TNH0.71
BSU1,3-DIPHENYLUREAA3E850.73
BSU1,3-DIPHENYLUREAA2ZJF0.73
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.76
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.76
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.79
TNL2,4,6-TRINITROTOLUENEA1GVR0.7
MAZFORMIC ACID 3-AMINO-BENZYL ESTERH,L1JYQ0.7
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.76
IDMINDOLINEA,B3CEP0.75
IDMINDOLINEA1AEK0.75
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.73
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.73
BAMBENZAMIDINEU1F5K0.7
BAMBENZAMIDINEX2BY80.7
BAMBENZAMIDINEB2PSM0.7
BAMBENZAMIDINEX2BY90.7
BAMBENZAMIDINEA1C1N0.7
BAMBENZAMIDINEX2BY60.7
BAMBENZAMIDINEH,I1C5O0.7
BAMBENZAMIDINEA1XX40.7
BAMBENZAMIDINEA1HJ80.7
BAMBENZAMIDINEA1C5P0.7
BAMBENZAMIDINEB1C5Z0.7
BAMBENZAMIDINEA,B1ZVW0.7
BAMBENZAMIDINEA2ANW0.7
BAMBENZAMIDINEA2ANY0.7
BAMBENZAMIDINEX2BYA0.7
BAMBENZAMIDINEA1TIO0.7
BAMBENZAMIDINEX2BY50.7
BAMBENZAMIDINEX2BY70.7
NIT4-NITROANILINEC,D1RMH0.72
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.72
NIT4-NITROANILINEB1VBS0.72
NIT4-NITROANILINEC1V9T0.72
NIT4-NITROANILINEC,D1VBT0.72
NIT4-NITROANILINEB1LOP0.72
NIT4-NITROANILINEC,D1ZKF0.72
NIT4-NITROANILINEB1PIP0.72
SBN2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILEA1JLQ0.72
ABNBENZYLAMINED,H2HXC0.74
ABNBENZYLAMINEA,I1A860.74
ABNBENZYLAMINEA1UTN0.74
ABNBENZYLAMINEA1N6X0.74
ABNBENZYLAMINEA2BZA0.74
ABNBENZYLAMINEA2EUS0.74
ABNBENZYLAMINEA1N6Y0.74
ABNBENZYLAMINEA1UTJ0.74
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.71
PHZ1-PHENYLHYDRAZINEA2E2T0.76
PHZ1-PHENYLHYDRAZINED,H2AGL0.76
NBENITROSOBENZENEA1LH70.72
NBENITROSOBENZENEA2LH70.72
NBENITROSOBENZENEA2NSS0.72
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.71
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.71
B2FPHENYLALANINE BORONIC ACIDA,P1P060.71
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.71
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.71
3AB3-aminobenzamideA,B,C,D3GOY0.76
MGRMALACHITE GREENA,B3BQZ0.75
MGRMALACHITE GREENA1Q8N0.75
MGRMALACHITE GREENA,B3BR00.75
MGRMALACHITE GREENA,D,E3BTL0.75
MGRMALACHITE GREENA,B,D,E3BTC0.75
MGRMALACHITE GREENA,B,D,E1JUP0.75
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.85
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
5NS5-aminonaphthalene-1-sulfonic acidA,B3CFT0.75
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.71
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.72
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.77
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.73
PRY2-PROPYL-ANILINEA1OWY0.9
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.7
PRA3-PHENYLPROPYLAMINEA1TNK0.73
PRA3-PHENYLPROPYLAMINEM1UTL0.73
PBN4-PHENYLBUTYLAMINEA1TNI0.73
PBN4-PHENYLBUTYLAMINEA1UTP0.73
NYLN-ALLYL-ANILINEA1OVK0.72
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.81
271N-methyl-1-phenylmethanamineX2RBT0.7
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.79
264(phenylamino)acetonitrileA2RBN0.72
CVICRYSTAL VIOLETA,B,D,E1JTX0.75
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.72
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.74
ANLANILINEA2OV40.8
ANLANILINEA1AEE0.8
ANLANILINEA1PPA0.8
ANLANILINEA1HJ90.8
3NT3-NITROTOLUENEA,B2BMR0.76
3NT3-NITROTOLUENEA,B2HMO0.76