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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03233436

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide
A3D7Z0.72
BNFN-BENZYLFORMAMIDEA,B1U3U0.73
TFK3-[[(METHYLAMINO)SULFONYL]AMINO]-
2-OXO-6-PHENYL-N-[3,3,3-TRIFLUORO-
1-(1-METHYLETHYL)-2-OXOPHENYL]-
1(2H)-PYRIDINE ACETAMIDE
A1EAS0.73
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.78
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.72
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.72
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.72
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.72
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.72
G1L3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDEA,B2I800.72
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.72
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.7
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.7
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.72
PRY2-PROPYL-ANILINEA1OWY0.72
34A3,4-DIMETHYLANILINEA1L4K0.73
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.83
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.74
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.72
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.77
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.77
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.77
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.79
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.72
LGD6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-
4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-
ONE
A2HVC0.75
ISOPARA-ISOPROPYLANILINEA1BMA0.72
ISOPARA-ISOPROPYLANILINEA,B1ELC0.72
ISOPARA-ISOPROPYLANILINEA,B1ELB0.72
ISOPARA-ISOPROPYLANILINEA,B1ELA0.72
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.76
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.74
V152-AMINO-6-(2-PHENYLETHYL)PYRIMIDIN-
4(3H)-ONE
A2V000.77
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.76
G3E3-hydroxyquinolin-2(1H)-oneA,B,C,D3G3E0.75
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.71
3AB3-aminobenzamideA,B,C,D3GOY0.71
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.7
TTXTENTOXINB1KMH0.72
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.76
271N-methyl-1-phenylmethanamineX2RBT0.72
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.72
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.72
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.72
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.72
MKC6-BENZYL-1-ETHOXYMETHYL-5-ISOPROPYL URACILA1RT10.72
3575-ETHYL-3-[(2-METHOXYETHYL)METHYLAMINO]-
6-METHYL-4-(3-METHYLBENZYL)PYRIDIN-
2(1H)-ONE
A2BAN0.71
RXAisoquinoline-1,3,4(2H)-trioneA,B,C,D3DEH0.72