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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02187567

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
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.76
1MRN-METHYLANILINEX2OTZ0.74
N2M5-AMINO-NAPHTALENE-2-MONOSULFONATEC,D1HKN0.75
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
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.77
PNZP-NITRO-BENZYLAMINEA,B2C700.77
SANSULFANILAMIDEA1AJ00.7
PHZ1-PHENYLHYDRAZINEA2E2T0.77
PHZ1-PHENYLHYDRAZINED,H2AGL0.77
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
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.93
XYD2,5-DIMETHYLANILINEA1L4L0.93
URSN-PHENYLTHIOUREAA,B1BUG0.7
5BM(2Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrileA3EQH0.71
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.9
3NT3-NITROTOLUENEA,B2BMR0.77
3NT3-NITROTOLUENEA,B2HMO0.77
9AP9-AMINOPHENANTHRENEA1EGY0.84
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.73
BZZBENZYLHYDRAZINEA,B2E2V0.7
3AB3-aminobenzamideA,B,C,D3GOY0.74
ANCANTHRACEN-1-YLAMINEA,B1GT10.85
ANCANTHRACEN-1-YLAMINEA,B1HN20.85
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.75
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.75
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.71
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.74
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.74
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.74
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.74
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.78
5AN3,5-DIFLUOROANILINEA1LGX0.78
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.73
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.83
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.73
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.73
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.74
2631-(azidomethyl)-3-methylbenzeneX2RB20.72
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.72
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.78
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.81
BRNBERENILA,B268D0.8
BRNBERENILA,B1D630.8
BRNBERENILA,D,E2GBY0.8
BRNBERENILA2DBE0.8
BRNBERENILA2GVR0.8
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.74
FBA4-FLUOROBENZYLAMINEA1TNH0.74
MAZFORMIC ACID 3-AMINO-BENZYL ESTERH,L1JYQ0.7
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.74
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
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.79
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
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.75
SBN2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILEA1JLQ0.72
MGRMALACHITE GREENA,B3BQZ0.73
MGRMALACHITE GREENA1Q8N0.73
MGRMALACHITE GREENA,B3BR00.73
MGRMALACHITE GREENA,D,E3BTL0.73
MGRMALACHITE GREENA,B,D,E3BTC0.73
MGRMALACHITE GREENA,B,D,E1JUP0.73
NYLN-ALLYL-ANILINEA1OVK0.74
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.74
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.83
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.88
BSU1,3-DIPHENYLUREAA3E850.74
BSU1,3-DIPHENYLUREAA2ZJF0.74
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.71
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.71
SOAISATOIC ANHYDRIDEA1BIO0.75
PRY2-PROPYL-ANILINEA1OWY0.94
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.72
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.81
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.74
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.74
5NS5-aminonaphthalene-1-sulfonic acidA,B3CFT0.75
ISOPARA-ISOPROPYLANILINEA1BMA0.88
ISOPARA-ISOPROPYLANILINEA,B1ELC0.88
ISOPARA-ISOPROPYLANILINEA,B1ELB0.88
ISOPARA-ISOPROPYLANILINEA,B1ELA0.88
ANLANILINEA2OV40.83
ANLANILINEA1AEE0.83
ANLANILINEA1PPA0.83
ANLANILINEA1HJ90.83
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.87
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.87
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.87
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.87
271N-methyl-1-phenylmethanamineX2RBT0.72
PBZP-AMINO BENZAMIDINEA,B2BDG0.82
PBZP-AMINO BENZAMIDINEA1RFN0.82
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.82
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.82
PBZP-AMINO BENZAMIDINEA1FIZ0.82
PBZP-AMINO BENZAMIDINEA1FIW0.82
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.82
NBENITROSOBENZENEA1LH70.75
NBENITROSOBENZENEA2LH70.75
NBENITROSOBENZENEA2NSS0.75
PRA3-PHENYLPROPYLAMINEA1TNK0.73
PRA3-PHENYLPROPYLAMINEM1UTL0.73
TNL2,4,6-TRINITROTOLUENEA1GVR0.73
PBN4-PHENYLBUTYLAMINEA1TNI0.73
PBN4-PHENYLBUTYLAMINEA1UTP0.73
ABNBENZYLAMINED,H2HXC0.77
ABNBENZYLAMINEA,I1A860.77
ABNBENZYLAMINEA1UTN0.77
ABNBENZYLAMINEA1N6X0.77
ABNBENZYLAMINEA2BZA0.77
ABNBENZYLAMINEA2EUS0.77
ABNBENZYLAMINEA1N6Y0.77
ABNBENZYLAMINEA1UTJ0.77
NBZNITROBENZENEA,B2BMQ0.7
NBZNITROBENZENEA,B3BGU0.7
CVICRYSTAL VIOLETA,B,D,E1JTX0.73
264(phenylamino)acetonitrileA2RBN0.72
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.76
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.76
IDMINDOLINEA,B3CEP0.77
IDMINDOLINEA1AEK0.77
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.7
34A3,4-DIMETHYLANILINEA1L4K0.88
1AN2-FLUOROANILINEA1LGW0.8