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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00790215

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEX3CR40.79
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEB1D640.79
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEX3CR50.79
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEA,B,D,E1RKW0.79
TL32,5-BIS-O-{4-[AMINO(IMINO)METHYL]PHENYL}-
1,4:3,6-DIANHYDRO-D-GLUCITOL		T1Y5B0.72
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.78
MTJN,O-DIMETHYL-L-TYROSINEA,B1ATL0.73
SAG(S)-(+)-2-[4-(FLUOROBENZYLOXY-BENZYLAMINO)PROPIONAMIDE]A,B2V5Z0.7
T443,5,3',5'-TETRAIODO-L-THYRONINEX1Y0X0.73
T443,5,3',5'-TETRAIODO-L-THYRONINEA1HK10.73
T443,5,3',5'-TETRAIODO-L-THYRONINEC,D1ICT0.73
T443,5,3',5'-TETRAIODO-L-THYRONINEA2RIW0.73
T443,5,3',5'-TETRAIODO-L-THYRONINEA,B2ROX0.73
T443,5,3',5'-TETRAIODO-L-THYRONINEA,B1IE40.73
T443,5,3',5'-TETRAIODO-L-THYRONINE1,21ETB0.73
T443,5,3',5'-TETRAIODO-L-THYRONINE1,21ETA0.73
T443,5,3',5'-TETRAIODO-L-THYRONINEA,B,C1SN00.73
T443,5,3',5'-TETRAIODO-L-THYRONINEA,B2CEO0.73
T443,5,3',5'-TETRAIODO-L-THYRONINEA,B1F860.73
T443,5,3',5'-TETRAIODO-L-THYRONINEA1HK40.73
T443,5,3',5'-TETRAIODO-L-THYRONINEA1HK20.73
T443,5,3',5'-TETRAIODO-L-THYRONINEA1HK50.73
T443,5,3',5'-TETRAIODO-L-THYRONINEA1HK30.73
DX9(2S)-3-(7-carbamimidoylnaphthalen-
2-yl)-2-[4-({(3R)-1-[(1Z)-ethanimidoyl]pyrrolidin-
3-yl}oxy)phenyl]propanoic acid		A1FAX0.72
DX9(2S)-3-(7-carbamimidoylnaphthalen-
2-yl)-2-[4-({(3R)-1-[(1Z)-ethanimidoyl]pyrrolidin-
3-yl}oxy)phenyl]propanoic acid		A1MTW0.72
IKRmethyl (2E)-{2-[(4-iodo-2,5-dimethylphenoxy)methyl]phenyl}(methoxyimino)ethanoateA,C,D,E,N,P,
Q,R		3H1K0.78
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1W7Q0.7
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H		1W7R0.7
HV8BENZYL-2-AMINO-PARAMETHOXY-BENZYLSTATINEC1A8G0.7
IN4+/-METHYL 4-(AMINOIMINOMETHYL)-
BETA-[3- INH (AMINOIMINO)PHENYL]BENZENE PENTANOATE		A1AZ80.73
BGF2,5-BIS(4-GUANYLPHENYL)FURANA227D0.77
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.71
GHP4-HYDROXYPHENYLGLYCINEA1DSR0.7
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.7
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.71
TL22-O-{4-[AMINO(IMINO)METHYL]PHENYL}-
5-O-{3-[AMINO(IMINO)METHYL]PHENYL}-
1,4:3,6-DIANHYDRO-D-GLUCITOL		T1Y5A0.7
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.71
HA26-[{(2S)-2-AMINO-3-[4-(BENZYLOXY)PHENYL]PROPYL}(HYDROXY)AMINO]-
6-OXOHEXANOIC ACID)		A2VJ80.72
PET1,5-DI(4-AMIDINOPHENOXY)-3-OXA-
PENTANE		B166D0.79
DCH3-(7-DIAMINOMETHYL-NAPHTHALEN-2-
YL)-PROPIONIC ACID ETHYL ESTER		H1UVU0.7
1676-CARBAMIMIDOYL-2-[2-HYDROXY-5-
(3-METHOXY-PHENYL)-INDAN-1-YL]-
HEXANOIC ACID		B,I1QJ60.75
T4AC,D1KGI0.72
T4AA,B1Z7J0.72
BPF2,5-BIS{[4-(N-ETHYLAMIDINO)]PHENYL}FURANA,B360D0.74
TNT1,3-BIS(AMIDINOPHENOXY)PROPANEB102D0.79
TNT1,3-BIS(AMIDINOPHENOXY)PROPANEA1PRP0.79
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A2PIT0.73
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A1NQ10.73
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A2PIU0.73
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A2PKL0.73
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A,B3D570.73
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A1NQ20.73
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A2QPY0.73
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A1NQ00.73
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A1NUO0.73
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A,B2PIN0.73
BX3(+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]-
3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACID		A1MTV0.73
BX3(+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]-
3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACID		A1MTU0.73
BX3(+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]-
3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACID		A1MTS0.73
TL12,5-BIS-O-{3-[AMINO(IMINO)METHYL]PHENYL}-
1,4:3,6-DIANHYDRO-D-GLUCITOL		T1Y590.7
OX34-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIMEA,B,C2OOH0.7
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA1DSR0.7
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H		1W7R0.7
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1W7Q0.7
H24(6S)-2-amino-6-(3'-methoxybiphenyl-
3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-
4(3H)-one		A2VA60.72
296(3R)-3-amino-2,2-difluoro-3-(4-
methoxyphenyl)propanoic acid		A,B2RJS0.75
3MB3-METHOXYBENZAMIDEA3PAX0.74
DID4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDAMIDEA,B,C,D1RPW0.8
T333,3'-DEIODO-THYROXINEA,B1THA0.74
TL42-O-{3-[AMINO(IMINO)METHYL]PHENYL}-
5-O-{4-[AMINO(IMINO)METHYL]PHENYL}-
1,4:3,6-DIANHYDRO-D-GLUCITOL		T1Y5U0.7
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.72