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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01360382

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CC1{4-[2-ACETYLAMINO-2-(3-CARBAMOYL-
2-CYCLOHEXYLMETHOXY-6,7,8,9-TETRAHYDRO-
5H-BENZOCYCLOHEPTEN-5YLCARBAMOYL)-
ETHYL]-2-PHOSPHONO-PHENYL}-PHOSPHONIC ACID
A,B1FBZ0.74
LZP4,4'-piperazine-1,4-diylbis{1-[3-
(benzyloxy)phenyl]-4-oxobutane-
1,3-dione}
A3EAX0.71
NHNA,C2GVF0.73
NFN6-[[(2-ETHOXY-1-NAPHTHALENYL)CARBONYL]AMINO]-
3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-
2-CARBOXYLATE
A1T9W0.73
DCH3-(7-DIAMINOMETHYL-NAPHTHALEN-2-
YL)-PROPIONIC ACID ETHYL ESTER
H1UVU0.71
D182,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURANB298D0.72
L013-[({(1S,2R)-1-BENZYL-2-HYDROXY-
3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]-
N,N-DIPROPYLBENZAMIDE
A1W510.7
D242,5-BIS-[4-[CYCLOPENTA-1,3-DIEN-
5-YLAMINO-1-AMINOMETHYL]-PHEN-1-
YL]FURAN
B1EEL0.71
DEOA,B1ROS0.74
B8L3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE
A1REK0.72
BHP(S)-5-(4-BENZYLOXY-PHENYL)-4-(7-
PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID
A,B1J1A0.71
HWGN-(TERT-BUTYL)-3,5-DIMETHYL-N'-
[(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN-
6-YL)CARBONYL]BENZOHYDRAZIDE
A,D1R200.71
C39N-[(2S,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-7-METHYL-2-(1-METHYLETHYL)-
8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE
C,O2V120.73
PHWBETA-PHENYL-N-{[(PHENYLMETHYL)OXY]CARBONYL}-
D-PHENYLALANYL-N- [(1S,3E)-1-[DIHYDROXY(METHYLOXY)(PHENYLOXY)-
LAMBDA5-PHOSPHANYL]-4- (METHYLOXY)BUT-
3-ENYL]-D-PROLINAMIDE
I,K1H8I0.7
PHWBETA-PHENYL-N-{[(PHENYLMETHYL)OXY]CARBONYL}-
D-PHENYLALANYL-N- [(1S,3E)-1-[DIHYDROXY(METHYLOXY)(PHENYLOXY)-
LAMBDA5-PHOSPHANYL]-4- (METHYLOXY)BUT-
3-ENYL]-D-PROLINAMIDE
I,K1H8D0.7
MFNN-[4,5,7-TRICARBOXYHEPTANOYL]-L-
GAMMA-GLUTAMYL-N-{2-[4-({5-[(FORMYLAMINO)METHYL]-
3-FURYL}METHOXY)PHENYL]ETHYL}-D-
GLUTAMINE
A,B,C,D2FHK0.73
MFNN-[4,5,7-TRICARBOXYHEPTANOYL]-L-
GAMMA-GLUTAMYL-N-{2-[4-({5-[(FORMYLAMINO)METHYL]-
3-FURYL}METHOXY)PHENYL]ETHYL}-D-
GLUTAMINE
A,B,C,D2FHJ0.73
D352,5-BIS{[4-(N-CYCLOHEXYLDIAMINOMETHYL)PHENYL]}FURANA1FMS0.71
BD23-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-(2-HYDROXYBENZOYL)BENZOATE
A1RE80.7
PI6[1-BENZYL-3-(8-SEC-BUTYL-7,10-DIOXO-
2-OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA-
1(16),13(17),14-TRIEN-11-YLAMINO)-
2-HYDROXY-PROPYL] -CARBAMIC ACID TERT-
BUTYL ESTER
A,B1B6M0.71
INX2-(CARBOXYMETHOXY)-5-[(2S)-2-({(2S)-
2-[(3-CARBOXYPROPANOYL)AMINO] -
3-PHENYLPROPANOYL}AMINO)-3-OXO-
3-(PENTYLAMINO)PROPYL]BENZOIC ACID
A1G7G0.74
AZP(5S,8S,14R)-ETHYL 11-(3-AMINO-3-
OXOPROPYL)-8-BENZYL-14-HYDROXY-
5-ISOBUTYL-3,6,9,12-TETRAOXO-1-
PHENYL-2-OXA-4,7,10,11-TETRAAZAPENTADECAN-
15-OATE
A2A5I0.7
AZP(5S,8S,14R)-ETHYL 11-(3-AMINO-3-
OXOPROPYL)-8-BENZYL-14-HYDROXY-
5-ISOBUTYL-3,6,9,12-TETRAOXO-1-
PHENYL-2-OXA-4,7,10,11-TETRAAZAPENTADECAN-
15-OATE
A2GTB0.7
AZP(5S,8S,14R)-ETHYL 11-(3-AMINO-3-
OXOPROPYL)-8-BENZYL-14-HYDROXY-
5-ISOBUTYL-3,6,9,12-TETRAOXO-1-
PHENYL-2-OXA-4,7,10,11-TETRAAZAPENTADECAN-
15-OATE
A,B2A5K0.7
0EZtert-butyl [(1S,2S)-1-benzyl-2-
hydroxy-3-{[(8S,11R)-8-[(1R)-1-
methylpropyl]-7,10-dioxo-2-oxa-
6,9-diazabicyclo[11.2.2]heptadeca-
1(15),13,16-trien-11-yl]amino}propyl]carbamate
A,B1MTR0.71
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA1NY00.72
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA,B1YMS0.72
PI8N-13-[(10S,13S)-9,12-DIOXO-10-(2-
BUTYL)-2-OXA-8,11-DIAZABICYCLO [13.2.2] NONADECA-
15,17,18-TRIENE] (2R)-BENZYL-(4S)-
HYDROXY-5-AMINOPENTANOIC (1R)-HYDROXY-
(2S)-INDANEAMIDE
A,B1D4K0.76
CC0(4-{2-ACETYLAMINO-2-[1-(3-CARBAMOYL-
4-CYCLOHEXYLMETHOXY-PHENYL)-ETHYLCARBAMOYL}-
ETHYL}-2-PHOSPHONO-PHENOXY)-ACETIC ACID
A1IJR0.72
9412-(4-{2-TERT-BUTOXYCARBONYLAMINO-
2-[4-(3-HYDROXY-2-METHOXYCARBONYL-
PHENOXY)-BUTYLCARBAMOYL]-ETHYL}-
PHENOXY)-MALONIC ACID
A1PYN0.7
C40N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]-
2-(3-METHOXYPROPOXY)BENZAMIDE
A2V130.72
DBON-{(1S,2R)-1-BENZYL-2-HYDROXY-3-
[(3-METHYLBENZYL)AMINO]PROPYL}DIBENZO[B,F]OXEPINE-
10-CARBOXAMIDE
A,B,C,D2EWY0.71
9INN-(3-FUROYL)-D-VALYL-L-VALYL-N~1~-
((1R,2Z)-4-ETHOXY-4-OXO-1-{[(3S)-
2-OXOPYRROLIDIN-3-YL]METHYL}BUT-
2-ENYL)-D-LEUCINAMIDE
A,B2AMD0.72
L75N-[2(R)-HYDROXY-1(S)-INDANYL]-2(R)-
PHENYLMETHYL-4(S)-HYDROXY-5-[4-
[2-BENZOFURANYLMETHYL]-2(S)-[TERT-
BUTYLAMINOCARBONYL]-PIPERAZINYL]-
PENTANEAMIDE
B1C700.78
5616-HYDROXY-3-{(4R)-1-[4-(1-NAPHTHYLAMINO)-
4-OXOBUTYL]-1,2,3-TRIAZOLIDIN-4-
YL}-1-BENZOFURAN-5-CARBOXYLIC ACID
A,B2QCT0.73
DRRA,B3BXR0.71
IN31-(N-BENZYLOXYCARBONYL-L-LEUCINYL)-
5-(3-BENZYLOXY BENZOYL)CARBOHYDRAZIDE
A1AYW0.85
9971-[3,3-DIMETHYL-2-(2-METHYLAMINO-
PROPIONYLAMINO)-BUTYRYL]-4-PHENOXY-
PYRROLIDINE-2-CARBOXYLIC ACID(1,2,3,4-
TETRAHYDRO-NAPHTHALEN-1-YL)-AMIDE
A1TFT0.72