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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00019489

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
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.72
PRA3-PHENYLPROPYLAMINEA1TNK0.71
PRA3-PHENYLPROPYLAMINEM1UTL0.71
PBN4-PHENYLBUTYLAMINEA1TNI0.71
PBN4-PHENYLBUTYLAMINEA1UTP0.71
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.72
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.72
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.77
PNZP-NITRO-BENZYLAMINEA,B2C700.77
SANSULFANILAMIDEA1AJ00.7
PHZ1-PHENYLHYDRAZINEA2E2T0.77
PHZ1-PHENYLHYDRAZINED,H2AGL0.77
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.93
XYD2,5-DIMETHYLANILINEA1L4L0.93
URSN-PHENYLTHIOUREAA,B1BUG0.7
ANCANTHRACEN-1-YLAMINEA,B1GT10.77
ANCANTHRACEN-1-YLAMINEA,B1HN20.77
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.73
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.72
IDMINDOLINEA,B3CEP0.76
IDMINDOLINEA1AEK0.76
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.73
BZZBENZYLHYDRAZINEA,B2E2V0.7
3AB3-aminobenzamideA,B,C,D3GOY0.74
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
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.73
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.73
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.71
5AN3,5-DIFLUOROANILINEA1LGX0.78
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.72
PEA2-PHENYLETHYLAMINEA1TNJ0.72
PEA2-PHENYLETHYLAMINED,H2HKM0.72
PEA2-PHENYLETHYLAMINEA1UTO0.72
PEA2-PHENYLETHYLAMINEA,B1D6Y0.72
PEA2-PHENYLETHYLAMINEA,B1D6Z0.72
PEA2-PHENYLETHYLAMINEA,B1D6U0.72
PEA2-PHENYLETHYLAMINEA1UTM0.72
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.73
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.83
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.73
2631-(azidomethyl)-3-methylbenzeneX2RB20.72
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.81
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.74
FBA4-FLUOROBENZYLAMINEA1TNH0.74
NYLN-ALLYL-ANILINEA1OVK0.73
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
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.93
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.81
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.83
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.88
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.71
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.71
SOAISATOIC ANHYDRIDEA1BIO0.75
PRY2-PROPYL-ANILINEA1OWY0.94
9AP9-AMINOPHENANTHRENEA1EGY0.76
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.72
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.81
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.74
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.74
264(phenylamino)acetonitrileA2RBN0.7
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
3NT3-NITROTOLUENEA,B2BMR0.79
3NT3-NITROTOLUENEA,B2HMO0.79
ABNBENZYLAMINED,H2HXC0.77
ABNBENZYLAMINEA,I1A860.77
ABNBENZYLAMINEA1UTN0.77
ABNBENZYLAMINEA1N6X0.77
ABNBENZYLAMINEA2BZA0.77
ABNBENZYLAMINEA2EUS0.77
ABNBENZYLAMINEA1N6Y0.77
ABNBENZYLAMINEA1UTJ0.77
NBZNITROBENZENEA,B2BMQ0.7
NBZNITROBENZENEA,B3BGU0.7
TNL2,4,6-TRINITROTOLUENEA1GVR0.74
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.71
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.71
1MRN-METHYLANILINEX2OTZ0.76
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.74
BRNBERENILA,B268D0.73
BRNBERENILA,B1D630.73
BRNBERENILA,D,E2GBY0.73
BRNBERENILA2DBE0.73
BRNBERENILA2GVR0.73
34A3,4-DIMETHYLANILINEA1L4K0.88
1AN2-FLUOROANILINEA1LGW0.8