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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02161195

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
T76(6R,21AS)-17-CHLORO-6-CYCLOHEXYL-
2,3,6,7,10,11,19,20-OCTAHYDRO-1H,5H-
PYRROLO[1,2-K][1,4,8,11,14]BENZOXATETRAAZA-
CYCLOHEPTADECINE-5,8,12,21(9H,13H,21AH)-
TETRONE		A,H1NT10.72
0643-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-
5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid		A3DCT0.79
GNI(3-{4-[2-(2,4-DICHLORO-PHENOXY)-
ETHYLCARBAMOYL]-5-PHENYL-ISOXAZOL-
3-YL}-PHENYL)-ACETIC ACID		A,B2J140.89
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PDU0.74
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PDC0.74
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PDP0.74
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PZN0.74
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PDJ0.74
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2IKJ0.74
CXNCLOXACILLINA,B1FCM0.74
3IHN-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-
L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-
4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-
3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE		A2HOB0.71
3IHN-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-
L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-
4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-
3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE		A,B2AMQ0.71
3IHN-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-
L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-
4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-
3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE		A,B,C,D3D230.71
3IHN-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-
L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-
4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-
3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE		A,B2Q6F0.71
W845-(7-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)HEPTYL)-
3-METHYL ISOXAZOLE		12RS10.74
W845-(7-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)HEPTYL)-
3-METHYL ISOXAZOLE		11RUD0.74
W845-(7-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)HEPTYL)-
3-METHYL ISOXAZOLE		11RUI0.74
W845-(7-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)HEPTYL)-
3-METHYL ISOXAZOLE		11RUH0.74
W8R5-(7-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)HEPTYL)-
3-METHYL ISOXAZOLE		12RR10.74
W435-(7-(6-CHLORO-4-(5-HYDRO-4-METHYL-
2-OXAZOLYL)PHENOXY)HEPTYL)-3-METHYL ISOXAZOLE		12RM20.77
GFA2-[4-chloro-2-(phenylcarbonyl)phenoxy]-
N-phenylacetamide		A3DLE0.74
W915-(3-(2,6-DICHLORO-4-(4,5-DIHYDRO-
2-OXAZOLYL)PHENOXY)PROPYL)-3-METHYL ISOXAZOLE		12HWB0.75
W915-(3-(2,6-DICHLORO-4-(4,5-DIHYDRO-
2-OXAZOLYL)PHENOXY)PROPYL)-3-METHYL ISOXAZOLE		12HWD0.75
2EQ5-(5-chloro-2,4-dihydroxyphenyl)-
N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]isoxazole-
3-carboxamide		A2VCJ0.76
19B4-methyl-N-(3-morpholin-4-ylphenyl)-
3-(3-piperidin-4-yl-1,2-benzisoxazol-
6-yl)benzamide		A3E930.72
GW4N-[(2S)-2-[(2-BENZOYLPHENYL)AMINO]-
3-{4-[2-(5-METHYL-2-PHENYL-1,3-
OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL]ACETAMIDE		A,B2POB0.71
BSM5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-
N-ETHYL-4-(4-METHOXYPHENYL)-1H-
PYRAZOLE-3-CARBOXAMIDE		A2BSM0.7
W715-(7-(4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)HEPTYL)-
3-METHYL ISOXAZOLE		1,41PIV0.75
W715-(7-(4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)HEPTYL)-
3-METHYL ISOXAZOLE		1,41D4M0.75
W715-(7-(4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)HEPTYL)-
3-METHYL ISOXAZOLE		12R040.75
W425-(5-(2,6-DICHLORO-4-(4,5-DIHYDRO-
2-OXAZOLYL)PHENOXY)PENTYL)-3-(HYDROXYETHYL OXYMETHYLENEOXYMETHYL) ISOXAZOLE		11R080.71
O626-(4-{[3-(2,6-dichlorophenyl)-5-
(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)naphthalene-
1-carboxylic acid		A3DCU0.76
VG24-(2-aminoethoxy)-N-(3-chloro-5-
piperidin-1-ylphenyl)-3,5-dimethylbenzamide		A2VIV0.72
IX15-(3-{3-[3-HYDROXY-2-(METHOXYCARBONYL)PHENOXY]PROPENYL}PHENYL)-
4-(HYDROXYMETHYL)ISOXAZOLE-3-CARBOXYLIC ACID		A1XBO0.7
2GG5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-
N-ETHYL-4-(4-METHOXYPHENYL)ISOXAZOLE-
3-CARBOXAMIDE		A2UWD0.78
6C36-CHLORO-3-(3-METHYLISOXAZOL-5-
YL)-4-PHENYLQUINOLIN-2(1H)-ONE		A2I0V0.74
L1R4-(2-AMINOETHOXY)-3,5-DICHLORO-
N-[3-(1-METHYLETHOXY)PHENYL]BENZAMIDE		A2VIP0.73
W565-(5-(4-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)PENTYL)-
3-METHYL ISOXAZOLE		12RS50.74
105N-[5-METHYL-3-O-TOLYL-ISOXAZOLE-
4-CARBOXYLIC ACID AMIDE] BORONIC ACID		A1JWZ0.82
105N-[5-METHYL-3-O-TOLYL-ISOXAZOLE-
4-CARBOXYLIC ACID AMIDE] BORONIC ACID		A,B1FSY0.82
105N-[5-METHYL-3-O-TOLYL-ISOXAZOLE-
4-CARBOXYLIC ACID AMIDE] BORONIC ACID		A1NYY0.82
7083-[(E)-2-(2-chloro-4-{[3-{[(R)-
(2,6-dichlorophenyl)(hydroxy)-lambda~4~-
sulfanyl]methyl}-5-(1-methylethyl)isoxazol-
4-yl]methoxy}phenyl)ethenyl]benzoic acid		A3GD20.72
1771-[2-AMINO-2-CYCLOHEXYL-ACETYL]-
PYRROLIDINE-3-CARBOXYLIC ACID 5-
CHLORO-2-(2-ETHYLCARBAMOYL-ETHOXY)-
BENZYLAMIDE		A,B1TA60.72
W595-(7-(5-HYDRO-4-ETHYL-2-OXAZOLYL)PHENOXY)HEPTYL)-
3-METHYL ISOXAZOLE		12RS30.74
6172-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACIDA2QE50.71
2GJ5-[2,4-DIHYDROXY-5-(1-METHYLETHYL)PHENYL]-
N-ETHYL-4-[4-(MORPHOLIN-4-YLMETHYL)PHENYL]ISOXAZOLE-
3-CARBOXAMIDE		A2VCI0.73
SOYOXACILLIN-ACYLATED SERINEA2IWD0.73
W545-(5-(2,6-DICHLORO-4-(4,5-DIHYDRO-
2-OXAZOLY)PHENOXY)PENTYL)-3-METHYL ISOXAZOLE		12HWC0.77
W545-(5-(2,6-DICHLORO-4-(4,5-DIHYDRO-
2-OXAZOLY)PHENOXY)PENTYL)-3-METHYL ISOXAZOLE		12HWE0.77
W335-(5-(6-CHLORO-4-(4,5-DIHYDRO-2-
OXAZOLYL)PHENOXY)PENTYL)-3-METHYL ISOXAZOLE		12R070.77
W355-(5-(4-(4,5-DIHYDRO-2-OXAZOLY)PHENOXY)PENTYL)-
3-METHYL ISOXAZOLE		11RUE0.74
W355-(5-(4-(4,5-DIHYDRO-2-OXAZOLY)PHENOXY)PENTYL)-
3-METHYL ISOXAZOLE		12R060.74
W355-(5-(4-(4,5-DIHYDRO-2-OXAZOLY)PHENOXY)PENTYL)-
3-METHYL ISOXAZOLE		11RUC0.74
W355-(5-(4-(4,5-DIHYDRO-2-OXAZOLY)PHENOXY)PENTYL)-
3-METHYL ISOXAZOLE		11RUG0.74