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PDB Info pages Status search Chemie search: 2492 results BIRD

QYO

QYO
Name:	(1S,3R)-3-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclopentan-1-ol
Formula:	C15 H15 F N4 O
SMILES:	OC1CCC(C1)Nc1ncnc2[NH]c3cc(F)ccc3c12
InChi:	InChI=1S/C15H15FN4O/c16-8-1-4-11-12(5-8)20-15-13(11)14(17-7-18-15)19-9-2-3-10(21)6-9/h1,4-5,7,9-10,21H,2-3,6H2,(H2,17,18,19,20)/t9-,10+/m1/s1
Definition date:	2022-06-14
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(1S,3R)-3-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclopentan-1-ol

QYU

QYU
Name:	(1R,3S)-3-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclopentan-1-ol
Formula:	C15 H15 F N4 O
SMILES:	OC1CCC(C1)Nc1ncnc2[NH]c3cc(F)ccc3c12
InChi:	InChI=1S/C15H15FN4O/c16-8-1-4-11-12(5-8)20-15-13(11)14(17-7-18-15)19-9-2-3-10(21)6-9/h1,4-5,7,9-10,21H,2-3,6H2,(H2,17,18,19,20)/t9-,10+/m0/s1
Definition date:	2022-06-14
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(1R,3S)-3-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclopentan-1-ol

QZ6

QZ6
Name:	(2R)-2-{[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}-1lambda~6~-thietane-1,1-dione
Formula:	C14 H13 F N4 O2 S
SMILES:	O=S1(=O)CCC1CNc1ncnc2[NH]c3cc(F)ccc3c12
InChi:	InChI=1S/C14H13FN4O2S/c15-8-1-2-10-11(5-8)19-14-12(10)13(17-7-18-14)16-6-9-3-4-22(9,20)21/h1-2,5,7,9H,3-4,6H2,(H2,16,17,18,19)/t9-/m1/s1
Definition date:	2022-06-14
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(2R)-2-{[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}-1lambda~6~-thietane-1,1-dione

QZF

QZF
Name:	(8R)-8-fluoro-6-(9H-pyrimido[4,5-b]indol-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid
Formula:	C18 H17 F N4 O2
SMILES:	O=C(O)C1(F)CN(CC21CCC2)c1ncnc2[NH]c3ccccc3c12
InChi:	InChI=1S/C18H17FN4O2/c19-18(16(24)25)9-23(8-17(18)6-3-7-17)15-13-11-4-1-2-5-12(11)22-14(13)20-10-21-15/h1-2,4-5,10H,3,6-9H2,(H,24,25)(H,20,21,22)/t18-/m1/s1
Definition date:	2022-06-14
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(8R)-8-fluoro-6-(9H-pyrimido[4,5-b]indol-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid

QZO

QZO
Name:	(1S,6R,7S)-3-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid
Formula:	C17 H15 F N4 O2
SMILES:	O=C(O)C1C2CCN(CC12)c1ncnc2[NH]c3cc(F)ccc3c12
InChi:	InChI=1S/C17H15FN4O2/c18-8-1-2-10-12(5-8)21-15-14(10)16(20-7-19-15)22-4-3-9-11(6-22)13(9)17(23)24/h1-2,5,7,9,11,13H,3-4,6H2,(H,23,24)(H,19,20,21)/t9-,11+,13+/m1/s1
Definition date:	2022-06-14
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(1S,6R,7S)-3-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid

QZX

QZX
Name:	(1R,6S,7R)-3-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid
Formula:	C17 H15 F N4 O2
SMILES:	O=C(O)C1C2CCN(CC12)c1ncnc2[NH]c3cc(F)ccc3c12
InChi:	InChI=1S/C17H15FN4O2/c18-8-1-2-10-12(5-8)21-15-14(10)16(20-7-19-15)22-4-3-9-11(6-22)13(9)17(23)24/h1-2,5,7,9,11,13H,3-4,6H2,(H,23,24)(H,19,20,21)/t9-,11+,13+/m0/s1
Definition date:	2022-06-14
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(1R,6S,7R)-3-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid

R0A

R0A
Name:	[(6S)-8-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-5-oxa-8-azaspiro[3.5]nonan-6-yl]acetic acid
Formula:	C19 H19 F N4 O3
SMILES:	Fc1ccc2c3c([NH]c2c1)ncnc3N1CC2(CCC2)OC(C1)CC(=O)O
InChi:	InChI=1S/C19H19FN4O3/c20-11-2-3-13-14(6-11)23-17-16(13)18(22-10-21-17)24-8-12(7-15(25)26)27-19(9-24)4-1-5-19/h2-3,6,10,12H,1,4-5,7-9H2,(H,25,26)(H,21,22,23)/t12-/m0/s1
Definition date:	2022-06-14
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	[(6S)-8-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-5-oxa-8-azaspiro[3.5]nonan-6-yl]acetic acid

R0H

R0H
Name:	methyl (3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-3-(hydroxymethyl)pyrrolidine-3-carboxylate
Formula:	C17 H17 F N4 O3
SMILES:	O=C(OC)C1(CCN(C1)c1ncnc2[NH]c3cc(F)ccc3c12)CO
InChi:	InChI=1S/C17H17FN4O3/c1-25-16(24)17(8-23)4-5-22(7-17)15-13-11-3-2-10(18)6-12(11)21-14(13)19-9-20-15/h2-3,6,9,23H,4-5,7-8H2,1H3,(H,19,20,21)/t17-/m1/s1
Definition date:	2022-06-14
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	methyl (3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-3-(hydroxymethyl)pyrrolidine-3-carboxylate

R0L

R0L
Name:	(2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholine-2-carboxylic acid
Formula:	C15 H13 F N4 O3
SMILES:	O=C(O)C1CN(CCO1)c1ncnc2[NH]c3cc(F)ccc3c12
InChi:	InChI=1S/C15H13FN4O3/c16-8-1-2-9-10(5-8)19-13-12(9)14(18-7-17-13)20-3-4-23-11(6-20)15(21)22/h1-2,5,7,11H,3-4,6H2,(H,21,22)(H,17,18,19)/t11-/m1/s1
Definition date:	2022-06-14
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholine-2-carboxylic acid

R0R

R0R
Name:	(8R)-8-fluoro-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-2-oxa-6-azaspiro[3.4]octane-8-carboxylic acid
Formula:	C17 H14 F2 N4 O3
SMILES:	O=C(O)C1(F)CN(CC21COC2)c1ncnc2[NH]c3cc(F)ccc3c12
InChi:	InChI=1S/C17H14F2N4O3/c18-9-1-2-10-11(3-9)22-13-12(10)14(21-8-20-13)23-4-16(6-26-7-16)17(19,5-23)15(24)25/h1-3,8H,4-7H2,(H,24,25)(H,20,21,22)/t17-/m1/s1
Definition date:	2022-06-14
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(8R)-8-fluoro-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-2-oxa-6-azaspiro[3.4]octane-8-carboxylic acid

R0W

R0W
Name:	(8S)-8-fluoro-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-2-oxa-6-azaspiro[3.4]octane-8-carboxylic acid
Formula:	C17 H14 F2 N4 O3
SMILES:	O=C(O)C1(F)CN(CC21COC2)c1ncnc2[NH]c3cc(F)ccc3c12
InChi:	InChI=1S/C17H14F2N4O3/c18-9-1-2-10-11(3-9)22-13-12(10)14(21-8-20-13)23-4-16(6-26-7-16)17(19,5-23)15(24)25/h1-3,8H,4-7H2,(H,24,25)(H,20,21,22)/t17-/m0/s1
Definition date:	2022-06-14
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(8S)-8-fluoro-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-2-oxa-6-azaspiro[3.4]octane-8-carboxylic acid

R8K

R8K
Name:	(8S)-8-fluoro-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-N-(methanesulfonyl)-6-azaspiro[3.4]octane-8-carboxamide
Formula:	C19 H19 F2 N5 O3 S
SMILES:	CS(=O)(=O)NC(=O)C1(F)CN(CC21CCC2)c1ncnc2[NH]c3cc(F)ccc3c12
InChi:	InChI=1S/C19H19F2N5O3S/c1-30(28,29)25-17(27)19(21)9-26(8-18(19)5-2-6-18)16-14-12-4-3-11(20)7-13(12)24-15(14)22-10-23-16/h3-4,7,10H,2,5-6,8-9H2,1H3,(H,25,27)(H,22,23,24)/t19-/m0/s1
Definition date:	2022-06-22
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(8S)-8-fluoro-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-N-(methanesulfonyl)-6-azaspiro[3.4]octane-8-carboxamide

R8R

R8R
Name:	(5R)-7-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-7-azaspiro[3.5]nonane-5-carboxylic acid
Formula:	C19 H19 F N4 O2
SMILES:	O=C(O)C1CN(CCC21CCC2)c1ncnc2[NH]c3cc(F)ccc3c21
InChi:	InChI=1S/C19H19FN4O2/c20-11-2-3-12-14(8-11)23-16-15(12)17(22-10-21-16)24-7-6-19(4-1-5-19)13(9-24)18(25)26/h2-3,8,10,13H,1,4-7,9H2,(H,25,26)(H,21,22,23)/t13-/m1/s1
Definition date:	2022-06-22
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(5R)-7-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-7-azaspiro[3.5]nonane-5-carboxylic acid

R8Z

R8Z
Name:	(3R)-3-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)(methyl)amino]-1lambda~6~-thiane-1,1-dione
Formula:	C16 H17 F N4 O2 S
SMILES:	O=S1(=O)CCCC(C1)N(C)c1ncnc2[NH]c3cc(F)ccc3c21
InChi:	InChI=1S/C16H17FN4O2S/c1-21(11-3-2-6-24(22,23)8-11)16-14-12-5-4-10(17)7-13(12)20-15(14)18-9-19-16/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,18,19,20)/t11-/m1/s1
Definition date:	2022-06-22
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(3R)-3-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)(methyl)amino]-1lambda~6~-thiane-1,1-dione

R98

R98
Name:	7-fluoro-N-methyl-N-[(pyridin-2-yl)methyl]-9H-pyrimido[4,5-b]indol-4-amine
Formula:	C17 H14 F N5
SMILES:	Fc1ccc2c(c1)[NH]c1ncnc(c21)N(C)Cc1ccccn1
InChi:	InChI=1S/C17H14FN5/c1-23(9-12-4-2-3-7-19-12)17-15-13-6-5-11(18)8-14(13)22-16(15)20-10-21-17/h2-8,10H,9H2,1H3,(H,20,21,22)
Definition date:	2022-06-22
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	7-fluoro-N-methyl-N-[(pyridin-2-yl)methyl]-9H-pyrimido[4,5-b]indol-4-amine

R9F

R9F
Name:	7-fluoro-9H-pyrimido[4,5-b]indol-4-amine
Formula:	C10 H7 F N4
SMILES:	Fc1ccc2c(c1)[NH]c1ncnc(N)c21
InChi:	InChI=1S/C10H7FN4/c11-5-1-2-6-7(3-5)15-10-8(6)9(12)13-4-14-10/h1-4H,(H3,12,13,14,15)
Definition date:	2022-06-22
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	7-fluoro-9H-pyrimido[4,5-b]indol-4-amine

R9L

R9L
Name:	3-{[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}-1lambda~6~-thietane-1,1-dione
Formula:	C14 H13 F N4 O2 S
SMILES:	O=S1(=O)CC(CNc2ncnc3[NH]c4cc(F)ccc4c23)C1
InChi:	InChI=1S/C14H13FN4O2S/c15-9-1-2-10-11(3-9)19-14-12(10)13(17-7-18-14)16-4-8-5-22(20,21)6-8/h1-3,7-8H,4-6H2,(H2,16,17,18,19)
Definition date:	2022-06-22
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	3-{[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}-1lambda~6~-thietane-1,1-dione

R9U

R9U
Name:	(2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-N-(methanesulfonyl)morpholine-2-carboxamide
Formula:	C16 H16 F N5 O4 S
SMILES:	CS(=O)(=O)NC(=O)C1CN(CCO1)c1ncnc2[NH]c3cc(F)ccc3c12
InChi:	InChI=1S/C16H16FN5O4S/c1-27(24,25)21-16(23)12-7-22(4-5-26-12)15-13-10-3-2-9(17)6-11(10)20-14(13)18-8-19-15/h2-3,6,8,12H,4-5,7H2,1H3,(H,21,23)(H,18,19,20)/t12-/m1/s1
Definition date:	2022-06-22
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-N-(methanesulfonyl)morpholine-2-carboxamide

RA3

RA3
Name:	[(2R,6R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-6-(hydroxymethyl)morpholin-2-yl]acetic acid
Formula:	C17 H17 F N4 O4
SMILES:	OCC1CN(CC(CC(=O)O)O1)c1ncnc2[NH]c3cc(F)ccc3c12
InChi:	InChI=1S/C17H17FN4O4/c18-9-1-2-12-13(3-9)21-16-15(12)17(20-8-19-16)22-5-10(4-14(24)25)26-11(6-22)7-23/h1-3,8,10-11,23H,4-7H2,(H,24,25)(H,19,20,21)/t10-,11-/m1/s1
Definition date:	2022-06-22
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	[(2R,6R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-6-(hydroxymethyl)morpholin-2-yl]acetic acid

RBB

RBB
Name:	[(2R)-6,6-dimethyl-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetic acid
Formula:	C18 H20 N4 O3
SMILES:	OC(=O)CC1CN(CC(C)(C)O1)c1ncnc2[NH]c3ccccc3c21
InChi:	InChI=1S/C18H20N4O3/c1-18(2)9-22(8-11(25-18)7-14(23)24)17-15-12-5-3-4-6-13(12)21-16(15)19-10-20-17/h3-6,10-11H,7-9H2,1-2H3,(H,23,24)(H,19,20,21)/t11-/m1/s1
Definition date:	2022-06-22
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	[(2R)-6,6-dimethyl-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetic acid

RBO

RBO
Name:	[(2R)-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetic acid
Formula:	C16 H16 N4 O3
SMILES:	O=C(O)CC1CN(CCO1)c1ncnc2[NH]c3ccccc3c12
InChi:	InChI=1S/C16H16N4O3/c21-13(22)7-10-8-20(5-6-23-10)16-14-11-3-1-2-4-12(11)19-15(14)17-9-18-16/h1-4,9-10H,5-8H2,(H,21,22)(H,17,18,19)/t10-/m1/s1
Definition date:	2022-06-22
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	[(2R)-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetic acid

RC3

RC3
Name:	[(2S)-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetic acid
Formula:	C16 H16 N4 O3
SMILES:	O=C(O)CC1CN(CCO1)c1ncnc2[NH]c3ccccc3c12
InChi:	InChI=1S/C16H16N4O3/c21-13(22)7-10-8-20(5-6-23-10)16-14-11-3-1-2-4-12(11)19-15(14)17-9-18-16/h1-4,9-10H,5-8H2,(H,21,22)(H,17,18,19)/t10-/m0/s1
Definition date:	2022-06-22
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	[(2S)-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetic acid

RCR

RCR
Name:	(8R)-6-(7-bromo-9H-pyrimido[4,5-b]indol-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid
Formula:	C18 H16 Br F N4 O2
SMILES:	O=C(O)C1(F)CN(CC21CCC2)c1ncnc2[NH]c3cc(Br)ccc3c12
InChi:	InChI=1S/C18H16BrFN4O2/c19-10-2-3-11-12(6-10)23-14-13(11)15(22-9-21-14)24-7-17(4-1-5-17)18(20,8-24)16(25)26/h2-3,6,9H,1,4-5,7-8H2,(H,25,26)(H,21,22,23)/t18-/m1/s1
Definition date:	2022-06-22
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(8R)-6-(7-bromo-9H-pyrimido[4,5-b]indol-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid

RD6

RD6
Name:	(8S)-6-(7-bromo-9H-pyrimido[4,5-b]indol-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid
Formula:	C18 H16 Br F N4 O2
SMILES:	O=C(O)C1(F)CN(CC21CCC2)c1ncnc2[NH]c3cc(Br)ccc3c12
InChi:	InChI=1S/C18H16BrFN4O2/c19-10-2-3-11-12(6-10)23-14-13(11)15(22-9-21-14)24-7-17(4-1-5-17)18(20,8-24)16(25)26/h2-3,6,9H,1,4-5,7-8H2,(H,25,26)(H,21,22,23)/t18-/m0/s1
Definition date:	2022-06-22
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(8S)-6-(7-bromo-9H-pyrimido[4,5-b]indol-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid

RDN

RDN
Name:	(8R)-6-(9H-pyrimido[4,5-b]indol-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid
Formula:	C18 H18 N4 O2
SMILES:	O=C(O)C1CN(CC21CCC2)c1ncnc2[NH]c3ccccc3c12
InChi:	InChI=1S/C18H18N4O2/c23-17(24)12-8-22(9-18(12)6-3-7-18)16-14-11-4-1-2-5-13(11)21-15(14)19-10-20-16/h1-2,4-5,10,12H,3,6-9H2,(H,23,24)(H,19,20,21)/t12-/m1/s1
Definition date:	2022-06-22
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(8R)-6-(9H-pyrimido[4,5-b]indol-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid

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