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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02901975

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.78
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.78
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.78
PBN4-PHENYLBUTYLAMINEA1TNI0.76
PBN4-PHENYLBUTYLAMINEA1UTP0.76
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.77
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.77
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.77
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.77
PRA3-PHENYLPROPYLAMINEA1TNK0.76
PRA3-PHENYLPROPYLAMINEM1UTL0.76
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.73
PRY2-PROPYL-ANILINEA1OWY0.95
BZZBENZYLHYDRAZINEA,B2E2V0.73
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.72
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.74
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.71
2631-(azidomethyl)-3-methylbenzeneX2RB20.74
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.75
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.96
XYD2,5-DIMETHYLANILINEA1L4L0.96
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.77
FBA4-FLUOROBENZYLAMINEA1TNH0.77
1MRN-METHYLANILINEX2OTZ0.77
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.75
SANSULFANILAMIDEA1AJ00.73
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.72
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.72
BENBENZAMIDINEA2TIO0.73
BENBENZAMIDINEA1J150.73
BENBENZAMIDINEA,B3BEU0.73
BENBENZAMIDINET1V2U0.73
BENBENZAMIDINEA,B,C,D,E,F3CF80.73
BENBENZAMIDINEA1S0R0.73
BENBENZAMIDINEA,B1V160.73
BENBENZAMIDINEA1CC70.73
BENBENZAMIDINEA3BG80.73
BENBENZAMIDINEA1CC80.73
BENBENZAMIDINEA3PTB0.73
BENBENZAMIDINEA,B1TRM0.73
BENBENZAMIDINEA1ZHR0.73
BENBENZAMIDINEA,B,C,D,E,F1NKZ0.73
BENBENZAMIDINEA2BLV0.73
BENBENZAMIDINEA,B,C,D,E,F2GLP0.73
BENBENZAMIDINEH,I3D490.73
BENBENZAMIDINEH,L,T2AER0.73
BENBENZAMIDINEA1J140.73
BENBENZAMIDINEA1NSA0.73
BENBENZAMIDINEA2AYW0.73
BENBENZAMIDINEA1BRA0.73
BENBENZAMIDINEA,B,C,D1A0J0.73
BENBENZAMIDINEB,C,D2AST0.73
BENBENZAMIDINEA,B2CKR0.73
BENBENZAMIDINEA1LPU0.73
BENBENZAMIDINEA1ZHM0.73
BENBENZAMIDINEA1J8A0.73
BENBENZAMIDINEA,B3BCX0.73
BENBENZAMIDINEA,B,C,D,E,F3CF90.73
BENBENZAMIDINEA,B,C,D,E,F3D040.73
BENBENZAMIDINEA,B,C,D,E,F2GLL0.73
BENBENZAMIDINEA1AND0.73
BENBENZAMIDINEA2TBS0.73
BENBENZAMIDINEA,B,C,D,E,F3DP20.73
BENBENZAMIDINET1V2M0.73
BENBENZAMIDINEA2EEK0.73
BENBENZAMIDINEH,I2ZI20.73
BENBENZAMIDINET1V2J0.73
BENBENZAMIDINEH1KLI0.73
BENBENZAMIDINEA1CE50.73
BENBENZAMIDINEA,B,C,D,E,F3B7J0.73
BENBENZAMIDINEB,Y2PKA0.73
BENBENZAMIDINEA2VJ00.73
BENBENZAMIDINEA3B3J0.73
BENBENZAMIDINEA,B,C,D,E,F3DOY0.73
BENBENZAMIDINEA,B,C,D,E,F3DP30.73
BENBENZAMIDINEA,B,C,D,E,F2GLM0.73
BENBENZAMIDINEA1ANB0.73
BENBENZAMIDINEA1LO60.73
BENBENZAMIDINEA1LR40.73
BENBENZAMIDINEA,B1V1M0.73
BENBENZAMIDINEA1ZHP0.73
BENBENZAMIDINEA2J9N0.73
BENBENZAMIDINEA2BMV0.73
BENBENZAMIDINEA,B2CKS0.73
BENBENZAMIDINEA2BLW0.73
BENBENZAMIDINEA1J160.73
BENBENZAMIDINEA,B1V110.73
BENBENZAMIDINEA,B,C,D,E,F3DP00.73
BENBENZAMIDINEB1RTF0.73
BENBENZAMIDINEA,B,C,D,E,F3DP10.73
BENBENZAMIDINEA,B,C,D2E580.73
BENBENZAMIDINEA2TRM0.73
BENBENZAMIDINET1V2V0.73
BENBENZAMIDINEA1MBQ0.73
BENBENZAMIDINEA,B,C,D,E,F3DOZ0.73
BENBENZAMIDINEA2O8U0.73
BENBENZAMIDINEH1DWB0.73
BENBENZAMIDINEB,C2ASS0.73
BENBENZAMIDINEA1ANE0.73
BENBENZAMIDINEH,I2ZIQ0.73
BENBENZAMIDINEA1BIT0.73
BENBENZAMIDINEA2AIQ0.73
BENBENZAMIDINEA2OQ50.73
BENBENZAMIDINEA1ANC0.73
BENBENZAMIDINEH1JBU0.73
BENBENZAMIDINEA,B2BPQ0.73
BENBENZAMIDINEA,B,C,D2GNN0.73
BENBENZAMIDINET1V2S0.73
BENBENZAMIDINEA1H4W0.73
BENBENZAMIDINEA1OSS0.73
BENBENZAMIDINEA1W800.73
BENBENZAMIDINEA1BTY0.73
BENBENZAMIDINEH,I2ZFQ0.73
BENBENZAMIDINEA1EAX0.73
BENBENZAMIDINEA1L2E0.73
BENBENZAMIDINEA1WRI0.73
BENBENZAMIDINEA,B3BB80.73
BENBENZAMIDINEA2OXS0.73
BENBENZAMIDINEA1DPO0.73
BENBENZAMIDINET1V2L0.73
BSU1,3-DIPHENYLUREAA3E850.71
BSU1,3-DIPHENYLUREAA2ZJF0.71
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.74
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.74
B2FPHENYLALANINE BORONIC ACIDA,P1P060.74
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.74
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.74
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.77
PEA2-PHENYLETHYLAMINEA1TNJ0.77
PEA2-PHENYLETHYLAMINED,H2HKM0.77
PEA2-PHENYLETHYLAMINEA1UTO0.77
PEA2-PHENYLETHYLAMINEA,B1D6Y0.77
PEA2-PHENYLETHYLAMINEA,B1D6Z0.77
PEA2-PHENYLETHYLAMINEA,B1D6U0.77
PEA2-PHENYLETHYLAMINEA1UTM0.77
BNFN-BENZYLFORMAMIDEA,B1U3U0.7
N2M5-AMINO-NAPHTALENE-2-MONOSULFONATEC,D1HKN0.72
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.75
URSN-PHENYLTHIOUREAA,B1BUG0.73
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.85
ISOPARA-ISOPROPYLANILINEA1BMA0.91
ISOPARA-ISOPROPYLANILINEA,B1ELC0.91
ISOPARA-ISOPROPYLANILINEA,B1ELB0.91
ISOPARA-ISOPROPYLANILINEA,B1ELA0.91
PBZP-AMINO BENZAMIDINEA,B2BDG0.85
PBZP-AMINO BENZAMIDINEA1RFN0.85
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.85
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.85
PBZP-AMINO BENZAMIDINEA1FIZ0.85
PBZP-AMINO BENZAMIDINEA1FIW0.85
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.85
ABNBENZYLAMINED,H2HXC0.79
ABNBENZYLAMINEA,I1A860.79
ABNBENZYLAMINEA1UTN0.79
ABNBENZYLAMINEA1N6X0.79
ABNBENZYLAMINEA2BZA0.79
ABNBENZYLAMINEA2EUS0.79
ABNBENZYLAMINEA1N6Y0.79
ABNBENZYLAMINEA1UTJ0.79
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.73
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.73
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.94
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.9
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.9
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.9
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.9
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.7
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.86
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.73
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.76
NBENITROSOBENZENEA1LH70.78
NBENITROSOBENZENEA2LH70.78
NBENITROSOBENZENEA2NSS0.78
I7C4-AMINO-6-(TRIFLUOROMETHYL)BENZENE-
1,3-DISULFONAMIDE
A2POW0.71
3AB3-aminobenzamideA,B,C,D3GOY0.79
BRNBERENILA,B268D0.77
BRNBERENILA,B1D630.77
BRNBERENILA,D,E2GBY0.77
BRNBERENILA2DBE0.77
BRNBERENILA2GVR0.77
U134-(4-FLUORO-PHENYLAZO)-5-IMINO-
5H-PYRAZOL-3-YLAMINE
A2GG30.71
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.73
271N-methyl-1-phenylmethanamineX2RBT0.75
9AP9-AMINOPHENANTHRENEA1EGY0.81
G1L3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDEA,B2I800.71
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.71
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.71
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.73
5NS5-aminonaphthalene-1-sulfonic acidA,B3CFT0.72
264(phenylamino)acetonitrileA2RBN0.74
ANLANILINEA2OV40.87
ANLANILINEA1AEE0.87
ANLANILINEA1PPA0.87
ANLANILINEA1HJ90.87
SOAISATOIC ANHYDRIDEA1BIO0.75
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.73
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.85
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.77
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.76
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.71
NBZNITROBENZENEA,B2BMQ0.73
NBZNITROBENZENEA,B3BGU0.73
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.91
5AN3,5-DIFLUOROANILINEA1LGX0.81
IDMINDOLINEA,B3CEP0.78
IDMINDOLINEA1AEK0.78
1AN2-FLUOROANILINEA1LGW0.83
BAMBENZAMIDINEU1F5K0.73
BAMBENZAMIDINEX2BY80.73
BAMBENZAMIDINEB2PSM0.73
BAMBENZAMIDINEX2BY90.73
BAMBENZAMIDINEA1C1N0.73
BAMBENZAMIDINEX2BY60.73
BAMBENZAMIDINEH,I1C5O0.73
BAMBENZAMIDINEA1XX40.73
BAMBENZAMIDINEA1HJ80.73
BAMBENZAMIDINEA1C5P0.73
BAMBENZAMIDINEB1C5Z0.73
BAMBENZAMIDINEA,B1ZVW0.73
BAMBENZAMIDINEA2ANW0.73
BAMBENZAMIDINEA2ANY0.73
BAMBENZAMIDINEX2BYA0.73
BAMBENZAMIDINEA1TIO0.73
BAMBENZAMIDINEX2BY50.73
BAMBENZAMIDINEX2BY70.73
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.72
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.72
PL01-phenylguanidineA2O8W0.72
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.88
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.7
34A3,4-DIMETHYLANILINEA1L4K0.94
TNL2,4,6-TRINITROTOLUENEA1GVR0.73
NYLN-ALLYL-ANILINEA1OVK0.77
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.7
3NT3-NITROTOLUENEA,B2BMR0.81
3NT3-NITROTOLUENEA,B2HMO0.81
ANCANTHRACEN-1-YLAMINEA,B1GT10.82
ANCANTHRACEN-1-YLAMINEA,B1HN20.82
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.71
NIT4-NITROANILINEC,D1RMH0.75
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.75
NIT4-NITROANILINEB1VBS0.75
NIT4-NITROANILINEC1V9T0.75
NIT4-NITROANILINEC,D1VBT0.75
NIT4-NITROANILINEB1LOP0.75
NIT4-NITROANILINEC,D1ZKF0.75
NIT4-NITROANILINEB1PIP0.75
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.8
PHZ1-PHENYLHYDRAZINEA2E2T0.8
PHZ1-PHENYLHYDRAZINED,H2AGL0.8
MAZFORMIC ACID 3-AMINO-BENZYL ESTERH,L1JYQ0.74
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.71
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.8
PNZP-NITRO-BENZYLAMINEA,B2C700.8
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.77
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.77
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.74
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.71