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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00603233

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BN44-[4-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)-
2,3-DIMETHYLPHENOXY]BUTANOIC ACID		A1WV00.7
897N-[3-(TERT-BUTYLAMINO)-3-OXOPROPYL]-
N-ISOPROPYL-3-METHYL-5-{[(2S)-2-
(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE		B,H2UUK0.71
K55(2S)-2-{4-butoxy-3-[({[2-fluoro-
4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid		A,B2ZNP0.72
RXDN-[3-(2-fluoroethoxy)phenyl]-N'-
(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-
6-yl)butanediamide		A,B,C,D3DEK0.73
W845-(7-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)HEPTYL)-
3-METHYL ISOXAZOLE		12RS10.73
W845-(7-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)HEPTYL)-
3-METHYL ISOXAZOLE		11RUD0.73
W845-(7-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)HEPTYL)-
3-METHYL ISOXAZOLE		11RUI0.73
W845-(7-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)HEPTYL)-
3-METHYL ISOXAZOLE		11RUH0.73
BGF2,5-BIS(4-GUANYLPHENYL)FURANA227D0.74
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA1NY00.71
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA,B1YMS0.71
IC13-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]-
INDOLIN-2-ONE		A,B1EH40.74
R2C5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACIDA2PRL0.73
BI54-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDEA1ZYJ0.74
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEX3CR40.71
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEB1D640.71
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEX3CR50.71
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEA,B,D,E1RKW0.71
RHQRHODAMINE 6GA,B,D,E1JUS0.76
RHQRHODAMINE 6GA,B,D,E3BR50.76
RHQRHODAMINE 6GA,D,E3BR60.76
RHQRHODAMINE 6GA,B3D6Z0.76
RHQRHODAMINE 6GA1OY80.76
RHQRHODAMINE 6GA1T9V0.76
135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-
BENZAMIDE		B1GJA0.72
4266-[(Z)-AMINO(IMINO)METHYL]-N-[3-
(CYCLOPENTYLOXY)PHENYL]-2-NAPHTHAMIDE		A1OWI0.75
896N-ETHYL-N-ISOPROPYL-3-METHYL-5-
{[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE		B,H2UUJ0.73
PX1(1Z)-7-AMINO-1-(HYDROXYMETHYLENE)-
2-IMINO-4,6-DIMETHYL-3-OXO-2,3-
DIHYDRO-1H-PHENOXAZINE-9-CARBALDEHYDE		A,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X		1UNJ0.73
PX1(1Z)-7-AMINO-1-(HYDROXYMETHYLENE)-
2-IMINO-4,6-DIMETHYL-3-OXO-2,3-
DIHYDRO-1H-PHENOXAZINE-9-CARBALDEHYDE		A,B,C,D,E,F1UNM0.73
DID4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDAMIDEA,B,C,D1RPW0.72
D182,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURANB298D0.7
UC2N-[4-CLORO-3-(T-BUTYLOXOME)PHENYL-
2-METHYL-3-FURAN-CARBOTHIAMIDE		A1RT50.74
PXF2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-8-FLUORO-3-OXOPHENOXAZINE		A316D0.74
VG4N-[(1S,2R)-1-benzyl-3-{[(1S)-2-
(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-
2-hydroxypropyl]-3-(2-oxo-2,3-dihydro-
1H-pyrrol-1-yl)-5-propoxybenzamide		A2VIZ0.71
GP81-(2-AMIDINOPHENYL)-3-(PHENOXYPHENYL)UREAA1BJV0.71
4BGN-[4-(benzyloxy)phenyl]glycinamideA3CHO0.75
D554-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)-
3,5-dimethylbenzamide		A2VIQ0.77
4BQ(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acidA3CHQ0.73
W8R5-(7-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)HEPTYL)-
3-METHYL ISOXAZOLE		12RR10.73
3232-[3,6-bis(dimethylamino)xanthen-
9-yl]-5-methanoyl-benzoate		A,P,Q3D1F0.73
MHBA,B1SRG0.71
GFA2-[4-chloro-2-(phenylcarbonyl)phenoxy]-
N-phenylacetamide		A3DLE0.73
I25(2R)-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO){3-
[3-(DIMETHYLAMINO)-2,2-DIMETHYLPROPOXY]-
5-ETHYLPHENYL}ACETIC ACID		H,I2V3H0.7
RQ32-{4-[(3,5-DIMETHYLANILINO)-CARBONYL-
METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID		A,B,C,D1G9V0.72
L051-BENZYL-3-(4-METHOXYPHENYLAMINO)-
4-PHENYLPYRROLE-2,5-DIONE		A,B,C,D,E,F,
G,H		2ACL0.73
W715-(7-(4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)HEPTYL)-
3-METHYL ISOXAZOLE		1,41PIV0.73
W715-(7-(4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)HEPTYL)-
3-METHYL ISOXAZOLE		1,41D4M0.73
W715-(7-(4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)HEPTYL)-
3-METHYL ISOXAZOLE		12R040.73
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,C,D,I,J,
K,L		3EWF0.71
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,I,L2V5W0.71
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEB1VDN0.71
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEC1VAI0.71
SAG(S)-(+)-2-[4-(FLUOROBENZYLOXY-BENZYLAMINO)PROPIONAMIDE]A,B2V5Z0.76
W595-(7-(5-HYDRO-4-ETHYL-2-OXAZOLYL)PHENOXY)HEPTYL)-
3-METHYL ISOXAZOLE		12RS30.73
BRK{(2Z)-4-AMINO-2-[(4-METHOXYPHENYL)IMINO]-
2,3-DIHYDRO-1,3-THIAZOL-5-YL}(4-
METHOXYPHENYL)METHANONE		A2IZR0.75
6CAA2FLM0.7
PET1,5-DI(4-AMIDINOPHENOXY)-3-OXA-
PENTANE		B166D0.71
TNT1,3-BIS(AMIDINOPHENOXY)PROPANEB102D0.71
TNT1,3-BIS(AMIDINOPHENOXY)PROPANEA1PRP0.71
U04({3-[1-(4-HYDROXY-2-OXO-2H-CHROMEN-
3-YL)-PROPYL]-PHENYLCARBAMOYL}-
METHYL)-CARBAMIC ACID TERT-BUTYL ESTER		A4UPJ0.71
L1R4-(2-AMINOETHOXY)-3,5-DICHLORO-
N-[3-(1-METHYLETHOXY)PHENYL]BENZAMIDE		A2VIP0.73
D272-{[(2E)-3-(3,4-dimethoxyphenyl)prop-
2-enoyl]amino}benzoic acid		A,B,C,D2VD00.72
RHOTETRAMETHYLRHODAMINE-5-MALEIMIDEA1J6Z0.71
RHOTETRAMETHYLRHODAMINE-5-MALEIMIDEA1NWK0.71
R364-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)-
ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL-
5-PHENYL-PENTYL}-BENZAMIDE		A1LEE0.76
4216-CARBAMIMIDOYL-4-(3-HYDROXY-2-
METHYL-BENZOYLAMINO)-NAPHTHALENE-
2-CARBOXYLIC ACID METHYL ESTER		A1ZSK0.71
W355-(5-(4-(4,5-DIHYDRO-2-OXAZOLY)PHENOXY)PENTYL)-
3-METHYL ISOXAZOLE		11RUE0.72
W355-(5-(4-(4,5-DIHYDRO-2-OXAZOLY)PHENOXY)PENTYL)-
3-METHYL ISOXAZOLE		12R060.72
W355-(5-(4-(4,5-DIHYDRO-2-OXAZOLY)PHENOXY)PENTYL)-
3-METHYL ISOXAZOLE		11RUC0.72
W355-(5-(4-(4,5-DIHYDRO-2-OXAZOLY)PHENOXY)PENTYL)-
3-METHYL ISOXAZOLE		11RUG0.72
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE		A2D550.76
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE		A1DSC0.76
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE		A,B1A7Z0.76
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE		A,B1OVF0.76
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE		C,D1MNV0.76
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE		A,B,C,D1I3W0.76
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE		A,B,C1A7Y0.76
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE		A,B173D0.76
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE		A,B1FJA0.76
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE		A1DSD0.76
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE		B1L1V0.76
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE		A,B,C1QFI0.76
8935-CYANO-N-(2,5-DIMETHOXYBENZYL)-
6-ETHOXYPYRIDINE-2-CARBOXAMIDE		A,B2H960.72
3MB3-METHOXYBENZAMIDEA3PAX0.74
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'		A1J3F0.71
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'		A1UFJ0.71
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'		A1V9Q0.71
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PDU0.71
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PDC0.71
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PDP0.71
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PZN0.71
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PDJ0.71
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2IKJ0.71
3MR(4S)-4-(2-AMINO-6-PHENOXYQUINAZOLIN-
3(4H)-YL)-N,4-DICYCLOHEXYL-N-METHYLBUTANAMIDE		A2Q150.71
44CA2FBR0.7
R373-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)-
ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL-
5-PHENYL-PENTYL}-BENZAMIDE		A1LF20.74
W565-(5-(4-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)PENTYL)-
3-METHYL ISOXAZOLE		12RS50.72
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.79
VG24-(2-aminoethoxy)-N-(3-chloro-5-
piperidin-1-ylphenyl)-3,5-dimethylbenzamide		A2VIV0.73
BPF2,5-BIS{[4-(N-ETHYLAMIDINO)]PHENYL}FURANA,B360D0.78
4BO(3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acidA3CHP0.73
4BU(2S)-2-amino-5-[[4-[(2S)-2-hydroxy-
2-phenyl-ethoxy]phenyl]amino]-5-
oxo-pentanoic acid		A3CHS0.7