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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00005959

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HTAN-[3-(N'-HYDROXYCARBOXAMIDO)-2-
(2-METHYLPROPYL)-PROPANOYL]-O-TYROSINE-
N-METHYLAMIDE
A1FBL0.71
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.72
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.72
DB12,3-DIHYDROXYBENZAMIDEA,B,C1X710.73
AC6P-HYDROXYACETOPHENONEA2GQ80.75
AC6P-HYDROXYACETOPHENONEX2O480.75
BZFBENZOFURANA182L0.71
V554-hydroxy-3-methoxybenzaldehydeB,D,E,F2VSS0.76
V554-hydroxy-3-methoxybenzaldehydeA,B,D,E,F2VSU0.76
MTJN,O-DIMETHYL-L-TYROSINEA,B1ATL0.73
VXXVANILLATEA,B1WB60.72
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.71
PET1,5-DI(4-AMIDINOPHENOXY)-3-OXA-
PENTANE
B166D0.7
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.82
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OTF0.72
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2NUV0.72
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OUB0.72
E201-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-
2-YL)METHYL]PIPERIDINE
A1EVE0.73
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.89
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.72
3XH3-Hydroxyhippuric acidA3E9K0.7
2RBN'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-
4-methoxybenzohydrazide
A,B,C,D,E,F3DP10.7
SCLACETIC ACID SALICYLOYL-AMINO-ESTERA1EBV0.76
BGF2,5-BIS(4-GUANYLPHENYL)FURANA227D0.72
HBAP-HYDROXYBENZALDEHYDEA1K030.73
HBAP-HYDROXYBENZALDEHYDEA,B2VQ50.73
HBAP-HYDROXYBENZALDEHYDEA,B1EB90.73
HBAP-HYDROXYBENZALDEHYDEA2GQ90.73
HBAP-HYDROXYBENZALDEHYDEA,B1Z420.73
HBAP-HYDROXYBENZALDEHYDEA1OYB0.73
HQQ5-METHYL-5-(4-PHENOXY-PHENYL)-PYRIMIDINE-
2,4,6-TRIONE
A,B,C1G4K0.7
BVL(2E)-1-[2-hydroxy-4-methoxy-5-(3-
methylbut-2-en-1-yl)phenyl]-3-(4-
hydroxyphenyl)prop-2-en-1-one
A2ZBH0.71
GHP4-HYDROXYPHENYLGLYCINEA1DSR0.72
1BA4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDEA2GPP0.75
BRK{(2Z)-4-AMINO-2-[(4-METHOXYPHENYL)IMINO]-
2,3-DIHYDRO-1,3-THIAZOL-5-YL}(4-
METHOXYPHENYL)METHANONE
A2IZR0.71
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.72
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.72
F6F2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATEA,B2CLM0.79
F6F2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATEA,B2CLF0.79
F6F2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATEA,B2CLE0.79
R71[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)-
2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE
A1W6J0.72
R71[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)-
2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE
A,B,C1GSZ0.72
BEK2,3,5,6-TETRAFLUORO-4-METHOXY-BENZAMIDEA1KJR0.87
TYCL-TYROSINAMIDEA2BF90.71
TYCL-TYROSINAMIDEA2OCI0.71
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.71
HWGN-(TERT-BUTYL)-3,5-DIMETHYL-N'-
[(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN-
6-YL)CARBONYL]BENZOHYDRAZIDE
A,D1R200.72
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA1DSR0.72
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.72
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.72
HV71-METHYLAMINE-2-HYDROXY-4-METHOXY-
BENZENE
C1A8G0.73
DID4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDAMIDEA,B,C,D1RPW0.71
AI73-(heptyloxy)benzoic acidA,B2O3Z0.74
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.74
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEX3CR40.7
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEB1D640.7
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEX3CR50.7
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEA,B,D,E1RKW0.7
TNT1,3-BIS(AMIDINOPHENOXY)PROPANEB102D0.71
TNT1,3-BIS(AMIDINOPHENOXY)PROPANEA1PRP0.71
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.76
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.76
YE65-(2-chlorophenyl)furan-2-carbohydrazideA2P9A0.72
YE65-(2-chlorophenyl)furan-2-carbohydrazideA2P990.72
ANN4-METHOXYBENZOIC ACIDA2B960.8
ANN4-METHOXYBENZOIC ACIDA2QUE0.8
ANN4-METHOXYBENZOIC ACIDA1SV30.8
ANN4-METHOXYBENZOIC ACIDA1O2E0.8
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.8
K55(2S)-2-{4-butoxy-3-[({[2-fluoro-
4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid
A,B2ZNP0.71
PHBP-HYDROXYBENZOIC ACIDA1CJ40.7
PHBP-HYDROXYBENZOIC ACIDA1DOB0.7
PHBP-HYDROXYBENZOIC ACIDA1PXB0.7
PHBP-HYDROXYBENZOIC ACIDA,B1G1B0.7
PHBP-HYDROXYBENZOIC ACIDA,B1YKJ0.7
PHBP-HYDROXYBENZOIC ACIDA1IUV0.7
PHBP-HYDROXYBENZOIC ACIDA1PBE0.7
PHBP-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCC0.7
PHBP-HYDROXYBENZOIC ACIDA1PDH0.7
PHBP-HYDROXYBENZOIC ACIDB2BUW0.7
PHBP-HYDROXYBENZOIC ACIDA1CC40.7
PHBP-HYDROXYBENZOIC ACIDA1CC60.7
PHBP-HYDROXYBENZOIC ACIDA1IUW0.7
PHBP-HYDROXYBENZOIC ACIDA1FW90.7
PHBP-HYDROXYBENZOIC ACIDA1G810.7
PHBP-HYDROXYBENZOIC ACIDA1BGJ0.7
PHBP-HYDROXYBENZOIC ACIDA1IUX0.7
PHBP-HYDROXYBENZOIC ACIDA1CJ30.7
PHBP-HYDROXYBENZOIC ACIDA1D7L0.7
PHBP-HYDROXYBENZOIC ACIDA2PHH0.7
PHBP-HYDROXYBENZOIC ACIDA1BGN0.7
PHBP-HYDROXYBENZOIC ACIDA1PXA0.7
PHBP-HYDROXYBENZOIC ACIDA1DOC0.7
PHBP-HYDROXYBENZOIC ACIDA1K0I0.7
PHBP-HYDROXYBENZOIC ACIDA1BKW0.7
PHBP-HYDROXYBENZOIC ACIDA1JD30.7
PHBP-HYDROXYBENZOIC ACIDA1PXC0.7
PHBP-HYDROXYBENZOIC ACIDA1TT80.7
PHBP-HYDROXYBENZOIC ACIDA1CJ20.7
PHBP-HYDROXYBENZOIC ACIDA,B1Q4S0.7
PHBP-HYDROXYBENZOIC ACIDA1BF30.7
PHBP-HYDROXYBENZOIC ACIDB2BUR0.7
3MB3-METHOXYBENZAMIDEA3PAX0.93
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.77
296(3R)-3-amino-2,2-difluoro-3-(4-
methoxyphenyl)propanoic acid
A,B2RJS0.77
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.72
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.72
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.72
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.72
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.72
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.72
TN33-CHLORO-4-(4-CHLORO-2-HYDROXYPHENOXY)-
N-METHYLBENZAMIDE
A,B1ZXB0.71
HBD4-HYDROXYBENZAMIDEB,C,D1BEN0.86
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.71
4MP1-(4-METHOXYBENZOYL)-2-PYRROLIDINONEA,B2AL50.86
R88(4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMINO]BUT-
2-ENYL}OXY)PHENYL]METHANONE
A,B,C1H360.7
SHASALICYLHYDROXAMIC ACIDX1V0H0.76
SHASALICYLHYDROXAMIC ACIDA2QPK0.76
SHASALICYLHYDROXAMIC ACIDA3FNL0.76
SHASALICYLHYDROXAMIC ACIDA3GCJ0.76
SHASALICYLHYDROXAMIC ACIDA1CK60.76
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA1NY00.74
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA,B1YMS0.74
401(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-
4-methoxybenzyl}butanoic acid
A,B2ZNQ0.73
MR11-(1,3-BENZODIOXOL-5-YL)METHANAMINEA2ORQ0.71
3002-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATEA1O410.7
TMSN-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY-
PHENYL)-VINYL]-BENZAMIDE
A,B1X6W0.72
C40N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]-
2-(3-METHOXYPROPOXY)BENZAMIDE
A2V130.7