MMsINC Database Search
logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01005480

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PMC3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1I430.74
AGNA1GNP0.7
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B,C2W2I0.77
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA2GKL0.77
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2VD70.77
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2JIG0.77
ONO2-[2-({[4-(DIAMINOMETHYL)PHENYL]AMINO}CARBONYL)-
6-METHOXYPYRIDIN-3-YL]-5-{[(1-FORMYL-
2,2-DIMETHYLPROPYL)AMINO]CARBONYL}BENZOIC ACID		A2AYW0.7
OQB4-OXO-3-[(6-{[4-(QUINOXALIN-2-YLAMINO)-
BENZOYLAMINO]-METHYL}-PYRIDINE-
3-CARBONYL)-AMINO]-BUTYRIC ACID		A1RWW0.72
VRSVIRGINIAMYCIN S10,1,2,3,9,A,
B,C,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z		1YIT0.75
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.74
4HGN-[(4-HYDROXY-8-IODOISOQUINOLIN-
3-YL)CARBONYL]GLYCINE		A2G190.74
4HGN-[(4-HYDROXY-8-IODOISOQUINOLIN-
3-YL)CARBONYL]GLYCINE		A2G1M0.74
896N-ETHYL-N-ISOPROPYL-3-METHYL-5-
{[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE		B,H2UUJ0.73
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.73
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.73
C80(2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-
BENZYL-1H-INDOLE-3-CARBOXYLATE		C,O2V110.76
368(1R)-2-{[AMINO(IMINO)METHYL]AMINO}-
1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE		A1ZLR0.74
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A,B2QYN0.71
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A,B2QYK0.71
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A2QYL0.71
TITN-((3S,4S)-5-[(4-BROMOBENZYL)OXY]-
3-HYDROXY-4-{[N-(PYRIDIN-2-YLCARBONYL)-
L-VALYL]AMINO}PENTANOYL)-L-ALANYL-
L-LEUCINAMIDE		A,B1W6H0.76
GGVB3GGV0.7
ONM3'-O-(N-METHYLANTHRANILOYL)-GUANOSINE-
5'-TRIPHOSPHATE		A,C1TL70.72
ONM3'-O-(N-METHYLANTHRANILOYL)-GUANOSINE-
5'-TRIPHOSPHATE		A,C1U0H0.72
BI54-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDEA1ZYJ0.7
NFL2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACIDA1TD70.71
IHZ5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-
3-carboxamide		A3DKO0.71
OAI6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACIDA1C830.74
I05(3R,4R)-N-{4-[4-(2-FLUORO-6-HYDROXY-
3-METHOXY-BENZOYL)-BENZYLOXY]-AZEPAN-
3-YL}-ISONICOTINAMIDE		A1VEB0.72
PD8PHOSPHORYLATED DIHYDROPTEROATEA1W780.75
NA9N-(CARBOXYMETHYL)-3-CYCLOHEXYL-
D-ALANYL-N-({6-[AMINO(IMINO)METHYL]PYRIDIN-
3-YL}METHYL)-N~2~-METHYL-L-ALANINAMIDE		H,P2A2X0.7
LG26-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-
TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-
3-CARBOXYLIC ACID		A,B,C,D1H9U0.71
PYA3-(1,10-PHENANTHROL-2-YL)-L-ALANINEA1HCW0.73
QUI2-CARBOXYQUINOXALINEA1PFE0.72
QUI2-CARBOXYQUINOXALINEA,B2DA80.72
QUI2-CARBOXYQUINOXALINEA,C,E,G2ADW0.72
QUI2-CARBOXYQUINOXALINEA1VS20.72
QUI2-CARBOXYQUINOXALINEA1XVN0.72
QUI2-CARBOXYQUINOXALINEA,B185D0.72
QUI2-CARBOXYQUINOXALINEA1XVK0.72
QUI2-CARBOXYQUINOXALINEA,C1XVR0.72
QUI2-CARBOXYQUINOXALINEA,B3GO30.72
5702-(2-BENZOYL-PHENYLAMINO)-3-{4-
[2-(5-METHYL-2-PHENYL-OXAZOL-4-
YL)-ETHOXY]-PHENYL}-PROPIONIC ACID		A,D1RDT0.7
5702-(2-BENZOYL-PHENYLAMINO)-3-{4-
[2-(5-METHYL-2-PHENYL-OXAZOL-4-
YL)-ETHOXY]-PHENYL}-PROPIONIC ACID		A,D1FM90.7
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID		C2JQ70.71
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID		B1OLN0.71
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID		A1E9W0.71
COPN-(4-CARBOXY-4-{4-[(2,4-DIAMINO-
PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-
BUTYL)-PHTHALAMIC ACID		A1OHJ0.72
COPN-(4-CARBOXY-4-{4-[(2,4-DIAMINO-
PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-
BUTYL)-PHTHALAMIC ACID		A1OHK0.72
BO2N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-
N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE		2,H,K,N,V,Y2F160.74
T42MORPHOLINO-DIPHENYLALANINE-METHOXYPROPYLBORONIC ACIDH,I1AI80.7
T19PHENYLMETHYLENECARBOXY-(METHYLENEAMINO-
FORMYL-DIPHENYLMETHYL)METHY-PRO-
BOROVAL		H,I1AIX0.75
P3FPHOSPHORIC ACID MONO-(5-HYDROXY-
6-METHYL-4-{[2-(2-TRIFLUOROMETHYL-
BENZOYLAMINO)-ACETYL]-HYDRAZONOMETHYL}-
PYRIDIN-3-YLMETHYL)ESTER		A,B2FQ60.7
PXG3-[O-PHOSPHONOPYRIDOXYL]--AMINO-
BENZOIC ACID		A1B9I0.76
P10[1-(3-HYDROXY-2-OXO-1-PHENETHYL-
PROPYLCARBAMOYL)2-PHENYL-ETHYL]-
CARBAMIC ACID PYRIDIN-4-YLMETHYL ESTER		A1ME30.74
1IQ2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-
DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-
3-CARBOXYLIC ACID		A1Z8N0.72
INP4-[[N-[(PHENYLMETHOXY)CARBONYL]-
/NL/N-LEUCYL]AMINO]-1[(2S)-2-[[[4-
(PYRIDINYLMETHOXY)CARBONYL]AMINO]-
4-METHYLPENT/NYL]-3-PYRROLIDINONE/N		A1AU40.75
QNDQUINALDIC ACIDA,B1IDA0.72
MS3N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-
[VALINYL-AMINOMETHANYL-PYRIDINE]		A1EC30.72
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM		A1C8L0.72
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM		A2AMV0.72
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM		A3AMV0.72
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide		A,B2NMW0.7
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide		A,B3D1Y0.7
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide		A,B2NMY0.7
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide		A,B3CYX0.7
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide		A,B2NNP0.7
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide		B1C6Z0.7
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide		A,B2NNK0.7
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide		A1FB70.7
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide		A,B2NMZ0.7
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide		A,B3D1X0.7
897N-[3-(TERT-BUTYLAMINO)-3-OXOPROPYL]-
N-ISOPROPYL-3-METHYL-5-{[(2S)-2-
(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE		B,H2UUK0.73
BMSA,B1DKF0.71
NTMQUINOLINIC ACIDA3C2O0.78
NTMQUINOLINIC ACIDA,B1QAP0.78
NTMQUINOLINIC ACIDA,B,C,D,E,F1QPQ0.78
NTMQUINOLINIC ACIDA,B,C2B7N0.78
AKPN-(PYRAZIN-2-YLCARBONYL)LEUCYLISOLEUCYL-
N~1~-{1-[2-({1-CARBOXY-2-[4-(PHOSPHONOOXY)PHENYL]ETHYL}AMINO)-
1,1-DIHYDROXY-2-OXOETHYL]BUT-3-
ENYL}-3-CYCLOHEXYLALANINAMIDE		A,B1RGQ0.75
NA44-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-
PYRIDIN-3-YL]-BENZOIC ACID		A,C1RHM0.79
CMF3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-
2-OXOETHYL)-2-PHENYL-1H-INDOLE-
6-CARBOXYLIC ACID		A2BRK0.72
FOLFOLIC ACIDA1PJ60.75
FOLFOLIC ACIDA,B1RD70.75
FOLFOLIC ACIDA,B1DHF0.75
FOLFOLIC ACIDA,B,C,D,E1QZF0.75
FOLFOLIC ACIDA4CD20.75
FOLFOLIC ACIDA1RX70.75
FOLFOLIC ACIDA1RX20.75
FOLFOLIC ACIDA1RX80.75
FOLFOLIC ACIDA1RA20.75
FOLFOLIC ACIDA,B1RE70.75
FOLFOLIC ACIDA7DFR0.75
FOLFOLIC ACIDA1VIF0.75
FOLFOLIC ACIDA,B1RB20.75
FOLFOLIC ACIDA1CD20.75
FOLFOLIC ACIDA2CD20.75
FOLFOLIC ACIDA,B1DYI0.75
FOLFOLIC ACIDA1DRF0.75
FOLFOLIC ACIDA,B,C,D3BMC0.75
FOLFOLIC ACIDA,B2D0K0.75
FOLFOLIC ACIDA1RA80.75
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.71
I01(4R)-4-(2-FLUORO-6-HYDROXY-3-METHOXY-
BENZOYL)-BENZOIC ACID (3R)-3-[(PYRIDINE-
4-CARBONYL)AMINO]-AZEPAN-4-YL ESTER		A1SVE0.73
BLP(5-HYDROXY-6-METHYL-4-((2-(2-(2-
NITROBENZAMIDO)ACETYL)HYDRAZINYL)METHYL)PYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE		A,B2GQN0.73
4QB3-{2-ETHYL-6-[4-(QUINOXALIN-2-YLAMINO)-
BENZOYLAMINO]-HEXANOYLAMINO}-4-
OXO-BUTYRIC ACID		A1RWN0.72
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID		H1MEX0.71
R69N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE		A1XH40.71
R69N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE		A1XH90.71
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDA,D,E,G,I,J1S320.72
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDD,I,J1M180.72
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDE,I,J1M1A0.72
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDE,I,J1M190.72
GGWmethyl [(1S,4S,5S,7S,10S)-4-benzyl-
1,10-di-tert-butyl-5-hydroxy-2,9,12-
trioxo-7-(4-pyridin-2-ylbenzyl)-
13-oxa-3,8,11-triazatetradec-1-
yl]carbamate		H3GGA0.7
PXA2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-3-OXO(8-AZA)PHENOXAZINE		A209D0.7