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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01580145

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
INP4-[[N-[(PHENYLMETHOXY)CARBONYL]-
/NL/N-LEUCYL]AMINO]-1[(2S)-2-[[[4-
(PYRIDINYLMETHOXY)CARBONYL]AMINO]-
4-METHYLPENT/NYL]-3-PYRROLIDINONE/N
A1AU40.71
PMC3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1I430.74
897N-[3-(TERT-BUTYLAMINO)-3-OXOPROPYL]-
N-ISOPROPYL-3-METHYL-5-{[(2S)-2-
(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE
B,H2UUK0.71
896N-ETHYL-N-ISOPROPYL-3-METHYL-5-
{[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE
B,H2UUJ0.73
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDA,D,E,G,I,J1S320.71
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDD,I,J1M180.71
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDE,I,J1M1A0.71
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDE,I,J1M190.71
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B,C2W2I0.74
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA2GKL0.74
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2VD70.74
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2JIG0.74
PYCPYRROLE-2-CARBOXYLATEA1W620.76
PYCPYRROLE-2-CARBOXYLATEA,B1L9D0.76
PYCPYRROLE-2-CARBOXYLATEA,B2CWH0.76
PYCPYRROLE-2-CARBOXYLATEA,B1W610.76
PYCPYRROLE-2-CARBOXYLATEA,B1ELI0.76
TITN-((3S,4S)-5-[(4-BROMOBENZYL)OXY]-
3-HYDROXY-4-{[N-(PYRIDIN-2-YLCARBONYL)-
L-VALYL]AMINO}PENTANOYL)-L-ALANYL-
L-LEUCINAMIDE
A,B1W6H0.73
P10[1-(3-HYDROXY-2-OXO-1-PHENETHYL-
PROPYLCARBAMOYL)2-PHENYL-ETHYL]-
CARBAMIC ACID PYRIDIN-4-YLMETHYL ESTER
A1ME30.72
NTMQUINOLINIC ACIDA3C2O0.73
NTMQUINOLINIC ACIDA,B1QAP0.73
NTMQUINOLINIC ACIDA,B,C,D,E,F1QPQ0.73
NTMQUINOLINIC ACIDA,B,C2B7N0.73
CBB1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-
2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-
BENZYLESTER
B1LPK0.7
QUI2-CARBOXYQUINOXALINEA1PFE0.7
QUI2-CARBOXYQUINOXALINEA,B2DA80.7
QUI2-CARBOXYQUINOXALINEA,C,E,G2ADW0.7
QUI2-CARBOXYQUINOXALINEA1VS20.7
QUI2-CARBOXYQUINOXALINEA1XVN0.7
QUI2-CARBOXYQUINOXALINEA,B185D0.7
QUI2-CARBOXYQUINOXALINEA1XVK0.7
QUI2-CARBOXYQUINOXALINEA,C1XVR0.7
QUI2-CARBOXYQUINOXALINEA,B3GO30.7
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.8
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.8
368(1R)-2-{[AMINO(IMINO)METHYL]AMINO}-
1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE
A1ZLR0.71
T19PHENYLMETHYLENECARBOXY-(METHYLENEAMINO-
FORMYL-DIPHENYLMETHYL)METHY-PRO-
BOROVAL
H,I1AIX0.72
4HGN-[(4-HYDROXY-8-IODOISOQUINOLIN-
3-YL)CARBONYL]GLYCINE
A2G190.71
4HGN-[(4-HYDROXY-8-IODOISOQUINOLIN-
3-YL)CARBONYL]GLYCINE
A2G1M0.71
BI54-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDEA1ZYJ0.71
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PC20.72
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B,C,D1ARZ0.72
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PE70.72
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PES0.72
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B1C3V0.72
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B1P9L0.72
QNDQUINALDIC ACIDA,B1IDA0.7
NA44-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-
PYRIDIN-3-YL]-BENZOIC ACID
A,C1RHM0.71