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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02955226

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
545[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-
(1,3,4,5-TETRAHYDROXY-4-HYDROXYMETHYL-
PIPERIDIN-2-YL)- ACETIC ACID BUTYL ESTER
A1JIK0.72
REN(S)-reticulineA3FWA0.72
REN(S)-reticulineA3D2D0.72
B1L3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-HYDROXYBENZOATE
A1REJ0.71
LOCN-[(7S)-1,2,3,10-tetramethoxy-9-
oxo-6,7-dihydro-5H-benzo[d]heptalen-
7-yl]ethanamide
A,B,C,D3E220.71
C39N-[(2S,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-7-METHYL-2-(1-METHYLETHYL)-
8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE
C,O2V120.7
AA63-[4,5-DIHYDROXY-2-2-(2-HYDROXYETHYLAMINO)-
PHENYL]-2-METHYLAMINO-PROPIONIC ACID
E,I1QR30.71
383[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-
(2,4,5,8-TETRAHYDROXY-7-OXA-2-
AZA-BICYCLO[3.2.1]OCT-3-YL)- ACETIC ACID
A1JII0.7
HV8BENZYL-2-AMINO-PARAMETHOXY-BENZYLSTATINEC1A8G0.74
BHP(S)-5-(4-BENZYLOXY-PHENYL)-4-(7-
PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID
A,B1J1A0.71
413(S)-[(R)-2-(4-BENZYLOXY-3-METHOXY-
PHENYL)-2-(4-CARBAMIMIDOYL-PHENYLAMINO)-
ACETYLAMINO]-PHENYL-ACETIC ACID
H,L1W7X0.7
413(S)-[(R)-2-(4-BENZYLOXY-3-METHOXY-
PHENYL)-2-(4-CARBAMIMIDOYL-PHENYLAMINO)-
ACETYLAMINO]-PHENYL-ACETIC ACID
H1W8B0.7
485[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-
(3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDRO-
PYRAN-2-YL)- ACETIC ACID
A1JIL0.72
9412-(4-{2-TERT-BUTOXYCARBONYLAMINO-
2-[4-(3-HYDROXY-2-METHOXYCARBONYL-
PHENOXY)-BUTYLCARBAMOYL]-ETHYL}-
PHENOXY)-MALONIC ACID
A1PYN0.71
TMSN-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY-
PHENYL)-VINYL]-BENZAMIDE
A,B1X6W0.76
XN2N-[2-HYDROXY-1-INDANYL]-5-[(2-TERTIARYBUTYLAMINOCARBONYL)-
4(BENZO[1,3]DIOXOL-5-YLMETHYL)-
PIPERAZINO]-4-HYDROXY-2-(1-PHENYLETHYL)-
PENTANAMIDE
A,B1K6V0.7
INZ2-{4-[(2S)-2-[({[(1S)-1-CARBOXY-
2-PHENYLETHYL]AMINO}CARBONYL)AMINO]-
3-OXO-3-(PENTYLAMINO)PROPYL]PHENOXY}MALONIC ACID
A1G7F0.71
SLX(13aS)-3,10-dimethoxy-5,8,13,13a-
tetrahydro-6H-isoquino[3,2-a]isoquinoline-
2,9-diol
A3FW90.71
C61(2R,4S,5S,7S)-5-AMINO-N-BUTYL-4-
HYDROXY-7-[4-METHOXY-3-(3-METHOXYPROPOXY)BENZYL]-
2,8-DIMETHYLNONANAMIDE
C,O2V100.74
DRS(9S,12S)-9-(1-methylethyl)-7,10-
dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-
1(16),14,17-triene-12-carboxylic acid
A,B3BXS0.72
DPDA,B1QIW0.71
DPDA1QIV0.71
AP1{3-[3-(3,4-DIMETHOXY-PHENYL)-1-
(1-{1-[2-(3,4,5-TRIMETHOXY-PHENYL)-
BUTYRYL]-PIPERIDIN-2YL}-VINYLOXY)-
PROPYL]-PHENOXY}-ACETIC ACID
A,B1BL40.72
HBZN-{[(4-hydroxyphenyl)carbonyl]carbamoyl}-
beta-D-glucopyranosylamine
A2QN70.7
XN3N-[2(R)-HYDROXY-1(S)-INDANYL]-5-
[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-
4(BENZO[1,3]DIOXOL-5-YLMETHYL)-
PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
A,B1K6P0.7
C41ALISKIRENC,O2V0Z0.74
MUS4-METHYL-2-OXO-2H-CHROMEN-7-YL 5-
(ACETYLAMINO)-3,5-DIDEOXY-L-ERYTHRO-
NON-2-ULOPYRANOSIDONIC ACID
A1S0J0.72
VAGVANCOMYCIN AGLYCONA1GHG0.71
A88(5R,6R)-2,4-BIS-(4-HYDROXY-3-METHOXYBENZYL)-
1,5-DIBENZYL-3-OXO-6-HYDROXY-1,2,4-
TRIAZACYCLOHEPTANE
A1PRO0.71
PCYPACTAMYCINA,D,H,N1HNX0.72
AB8(1S,3R,8AS)-8-(2-{(4S,6S)-3-(4-
HYDROXY-3-METHOXYBENZYL)-4-[2-(METHYLAMINO)-
2-OXOETHYL]-2-OXO-1,3-OXAZINAN-
6-YL}ETHYL)-3,7-DIMETHYL-1,2,3,7,8,8A-
HEXAHYDRONAPHTHALEN-1-YL (2R)-2-
METHYLBUTANOATE
A,B1XDG0.83
SHP(4-HYDROXYMALTOSEPHENYL)GLYCINEA1DSR0.7
629[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-
(1,3,4,5-TETRAHYDROXY-4-HYDROXYMETHYL-
PIPERIDIN-2-YL)- ACETIC ACID
A1JIJ0.71
D272-{[(2E)-3-(3,4-dimethoxyphenyl)prop-
2-enoyl]amino}benzoic acid
A,B,C,D2VD00.7
NATETHYL 4-(3-HYDROXYPHENYL)-6-METHYL-
2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-
5-CARBOXYLATE
A,B1Q0B0.75
NATETHYL 4-(3-HYDROXYPHENYL)-6-METHYL-
2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-
5-CARBOXYLATE
A,B1X880.75
MOBA,B1SRH0.71
FLGFLUORESCEINYLTHIOUREIDOA,B1OCB0.7
FLQN-[6-(ACETYLAMINO)HEXYL]-3',6'-
DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN-
1,9'-XANTHENE]-6-CARBOXAMIDE
C2FDC0.71
4SR(4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN-
2-ONE
A,B1XN00.7
F1IN-[1-(2,6-dimethoxybenzyl)piperidin-
4-yl]-4-sulfanylbutanamide
A2ZJI0.72
GUM4-METHYL-UMBELLIFERYL-N-ACETYL-
CHITOBIOSE
A1BB70.7
4292-{4-[2-ACETYLAMINO-3-(4-CARBOXYMETHOXY-
3-HYDROXY-PHENYL)-PROPIONYLAMINO]-
BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER
A1QXK0.78
ROLROLIPRAMA,B,C,D1OYN0.7
ROLROLIPRAMA,B1XMY0.7
ROLROLIPRAMA,B,C,D1Q9M0.7
ROLROLIPRAMA,B1RO60.7
ROLROLIPRAMA,B1XN00.7
ROLROLIPRAMA,B1TBB0.7
AAU(5R,6R)-5-BENZYL-6-HYDROXY-2,4-
BIS(4-HYDROXY-3-METHOXYBENZYL)-
1-[3-(4-HYDROXYPHENYL)PROPANOYL]-
1,2,4-TRIAZEPAN-3-ONE
B2A4F0.73
C40N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]-
2-(3-METHOXYPROPOXY)BENZAMIDE
A2V130.7
4BU(2S)-2-amino-5-[[4-[(2S)-2-hydroxy-
2-phenyl-ethoxy]phenyl]amino]-5-
oxo-pentanoic acid
A3CHS0.7